5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)diazenyl]-4h-pyrazole-3-carboxylic acid (CED0251287)

Record Information

Version

1.0

Creation Date

2026-08-28 16:44:50 UTC

Update Date

2026-08-28 16:44:50 UTC

SynCED ID

CED0251287

Secondary Accession Numbers

CHEM295899

Identification

Common Name

5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)diazenyl]-4h-pyrazole-3-carboxylic acid

Class

Small Molecule

Description

5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)diazenyl]-4h-pyrazole-3-carboxylic acid is an organic compound with the formula C16H12N4O9S2 and an average molecular weight of 468.40 g/mol. 5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)diazenyl]-4h-pyrazole-3-carboxylic acid belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. This substance is found in or released from one recorded source: food, food processing & cookware, specifically processing meats.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₆H₁₂N₄O₉S₂

Average Molecular Mass

Not Available

Monoisotopic Mass

468.005 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

C1=CC(=CC=C1N=NC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)C(=O)O)S(=O)(=O)O

InChI Identifier

InChI=1S/C16H12N4O9S2/c21-15-13(18-17-9-1-5-11(6-2-9)30(24,25)26)14(16(22)23)19-20(15)10-3-7-12(8-4-10)31(27,28)29/h1-8,13H,(H,22,23)(H,24,25,26)(H,27,28,29)

InChI Key

RFKITWRHKUYMRJ-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000511	Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.	Electrical & Electronic Equipment	PubChem
CEDs000552	Processing Meats?Processing meats can lead to synthetic chemical contamination primarily through the use of additives and preservatives.	Food, food processing & cookware	PubChem
CEDs000561	Perfumes Within Detergents And Soaps?Perfumes within detergents and soaps are synthetic fragrance compounds added to enhance the sensory experience of cleaning products.	Household cleaning & consumer products	PubChem
CEDs000611	Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.	Personal care & cosmetics	PubChem
CEDs000727	Printing Machines Or Presses?Printing machines or presses commonly utilize synthetic chemicals such as inks, solvents, and cleaning agents.	Paper, pulp & fiber products	PubChem
CEDs000739	Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.	Paper, pulp & fiber products	PubChem

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Tyrosyl-DNA phosphodiesterase 2	Q5XJA0	Danio rerio	Predicted (SEA)	Prediction Confidence Score 0.347 Applicability Domain 0.347 Statistical Significance 1.00e-05 Supporting Reference Compounds 1 E-value 0.0778492
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.252 Applicability Domain 0.269 Low confidence Statistical Significance 0.1588 Supporting Reference Compounds 472 E-value 1236.4
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.246 Applicability Domain 0.269 Low confidence Statistical Significance 0.1512 Supporting Reference Compounds 372 E-value 1177.24
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.246 Applicability Domain 0.269 Low confidence Statistical Significance 0.1358 Supporting Reference Compounds 332 E-value 1057.11
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	Prediction Confidence Score 0.243 Applicability Domain 0.269 Low confidence Statistical Significance 0.1053 Supporting Reference Compounds 242 E-value 819.441
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.242 Applicability Domain 0.262 Low confidence Statistical Significance 0.1729 Supporting Reference Compounds 407 E-value 1346.09
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 11	Q06124	Humans	Predicted (SEA)	Prediction Confidence Score 0.236 Applicability Domain 0.324 Statistical Significance 0.0628 Supporting Reference Compounds 109 E-value 488.815
Click to view 3D structure	Beta-carbonic anhydrase 1	P9WPJ7	Mycobacterium tuberculosis	Predicted (SEA)	Prediction Confidence Score 0.236 Applicability Domain 0.269 Low confidence Statistical Significance 0.0281 Supporting Reference Compounds 55 E-value 218.912
Click to view 3D structure	Inhibitor of growth protein 2	Q9H160	Humans	Predicted (SEA)	Prediction Confidence Score 0.234 Applicability Domain 0.234 Low confidence Statistical Significance 0.0118 Supporting Reference Compounds 1 E-value 92.2513
Click to view 3D structure	Carbonic anhydrase 14	Q9ULX7	Humans	Predicted (SEA)	Prediction Confidence Score 0.228 Applicability Domain 0.262 Low confidence Statistical Significance 0.1315 Supporting Reference Compounds 172 E-value 1023.72
Click to view 3D structure	Tyrosyl-DNA phosphodiesterase 2	O95551	Humans	Predicted (SEA)	Prediction Confidence Score 0.226 Applicability Domain 0.347 Statistical Significance 0.0181 Supporting Reference Compounds 60 E-value 140.751
Click to view 3D structure	Organic anion transporter 3	O88909	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.224 Applicability Domain 0.224 Low confidence Statistical Significance 0.0089 Supporting Reference Compounds 1 E-value 69.0523
Click to view 3D structure	Adenosine receptor A1	P25099	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.222 Applicability Domain 0.246 Low confidence Statistical Significance 0.158 Supporting Reference Compounds 221 E-value 1230.17
Click to view 3D structure	Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1	Q9GZU7	Humans	Predicted (SEA)	Prediction Confidence Score 0.222 Applicability Domain 0.257 Low confidence Statistical Significance 0.1418 Supporting Reference Compounds 128 E-value 1104.29
Click to view 3D structure	Protein RecA	P9WHJ3	Mycobacterium tuberculosis	Predicted (SEA)	Prediction Confidence Score 0.222 Applicability Domain 0.254 Low confidence Statistical Significance 0.2875 Supporting Reference Compounds 296 E-value 2238.55
Click to view 3D structure	RAC-alpha serine/threonine-protein kinase	P31749	Humans	Predicted (SEA)	Prediction Confidence Score 0.221 Applicability Domain 0.338 Statistical Significance 0.6275 Supporting Reference Compounds 797 E-value 4885.43
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	Prediction Confidence Score 0.22 Applicability Domain 0.262 Low confidence Statistical Significance 0.1714 Supporting Reference Compounds 193 E-value 1334.02
Click to view 3D structure	Carbonic anhydrase 5B, mitochondrial	Q9Y2D0	Humans	Predicted (SEA)	Prediction Confidence Score 0.219 Applicability Domain 0.262 Low confidence Statistical Significance 0.129 Supporting Reference Compounds 157 E-value 1004.57
Click to view 3D structure	3-phosphoinositide-dependent protein kinase 1	O15530	Humans	Predicted (SEA)	Prediction Confidence Score 0.217 Applicability Domain 0.338 Statistical Significance 0.5999 Supporting Reference Compounds 591 E-value 4670.1
Click to view 3D structure	Sentrin-specific protease 2	Q9HC62	Humans	Predicted (SEA)	Prediction Confidence Score 0.216 Applicability Domain 0.286 Low confidence Statistical Significance 0.0129 Supporting Reference Compounds 10 E-value 100.659
Click to view 3D structure	Carbonic anhydrase 6	P23280	Humans	Predicted (SEA)	Prediction Confidence Score 0.214 Applicability Domain 0.262 Low confidence Statistical Significance 0.1639 Supporting Reference Compounds 151 E-value 1275.87
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 1	P18031	Humans	Predicted (SEA)	Prediction Confidence Score 0.213 Applicability Domain 0.324 Statistical Significance 0.2023 Supporting Reference Compounds 197 E-value 1575.2
Click to view 3D structure	Sentrin-specific protease 7	Q9BQF6	Humans	Predicted (SEA)	Prediction Confidence Score 0.213 Applicability Domain 0.286 Low confidence Statistical Significance 0.2277 Supporting Reference Compounds 118 E-value 1772.32
Click to view 3D structure	Prostaglandin G/H synthase 2	P35354	Humans	Predicted (SEA)	Prediction Confidence Score 0.211 Applicability Domain 0.216 Low confidence Statistical Significance 0.3332 Supporting Reference Compounds 201 E-value 2594.25
Click to view 3D structure	Carbonic anhydrase 4	Q95323	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.211 Applicability Domain 0.235 Low confidence Statistical Significance 0.0777 Supporting Reference Compounds 64 E-value 604.733