[4-(2,4-dichlorobenzoyl)-2,5-dimethylpyrazol-3-yl] 4-methylbenzenesulfonate (CED0183888)

Record Information

Version

1.0

Creation Date

2026-08-20 02:02:38 UTC

Update Date

2026-08-20 02:02:38 UTC

Accession Number

CHEM197859

Identification

Common Name

[4-(2,4-dichlorobenzoyl)-2,5-dimethylpyrazol-3-yl] 4-methylbenzenesulfonate

Class

Small Molecule

Description

[4-(2,4-dichlorobenzoyl)-2,5-dimethylpyrazol-3-yl] 4-methylbenzenesulfonate belongs to the benzoyl derivatives, a subclass of benzene and substituted derivatives within the organic compounds. This organic compound has the chemical formula C19H16Cl2N2O4S and an average molecular weight of 439.30 g/mol. It is identified as being found in or released from two recorded sources: electrical and electronic equipment, specifically radio transmission systems, and building and construction materials, specifically floors.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₉H₁₆Cl₂N₂O₄S

Average Molecular Mass

439.300 g/mol

Monoisotopic Mass

438.021 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C19H16Cl2N2O4S/c1-11-4-7-14(8-5-11)28(25,26)27-19-17(12(2)22-23(19)3)18(24)15-9-6-13(20)10-16(15)21/h4-10H,1-3H3

InChI Key

ASRAWSBMDXVNLX-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

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
5764.0	Log mg/kg	[3200:10000]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
497	Floors	Building & Construction	Not Available
530	Radio Transmission Systems	Electrical & Electronic Equipment	Not Available
597	Chemosterilants	Agriculture & land management	Not Available
598	Fertiliser Distributors	Agriculture & land management	Not Available
602	Molluscicides	Agriculture & land management	Not Available
609	Aftershave	Personal care & cosmetics	Not Available
617	Lip Care Products	Personal care & cosmetics	Not Available

Pathways

0 pathways

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	Alkaline phosphatase, tissue-nonspecific isozyme	P05186	Humans	Predicted (SEA)	36.3556
Click to view 3D structure	Mitogen-activated protein kinase kinase kinase kinase 4	O95819	Humans	Predicted (SEA)	2076.55
Click to view 3D structure	Vascular endothelial growth factor receptor 2	P35968	Humans	Predicted (SEA)	2969.17
Click to view 3D structure	Cannabinoid receptor 1	P21554	Humans	Predicted (SEA)	579.12
Click to view 3D structure	26S proteasome non-ATPase regulatory subunit 10	O75832	Humans	Predicted (SEA)	13.5458
Click to view 3D structure	E3 ubiquitin-protein ligase XIAP	P98170	Humans	Predicted (SEA)	73.1783
Click to view 3D structure	Serine/threonine-protein kinase D3	O94806	Humans	Predicted (SEA)	1969.2
Click to view 3D structure	Serine/threonine-protein kinase Chk1	O14757	Humans	Predicted (SEA)	2225.71
Click to view 3D structure	cAMP-dependent protein kinase catalytic subunit alpha	P17612	Humans	Predicted (SEA)	2088.07
Click to view 3D structure	Dual specificity tyrosine-phosphorylation-regulated kinase 1A	Q13627	Humans	Predicted (SEA)	2382.65
Click to view 3D structure	Ribosomal protein S6 kinase alpha-3	P51812	Humans	Predicted (SEA)	2119.76
Click to view 3D structure	Phosphatidylcholine transfer protein	Q9UKL6	Humans	Predicted (SEA)	6.15009
Click to view 3D structure	Probable G-protein coupled receptor 27	Q9NS67	Humans	Predicted (SEA)	20.0851
Click to view 3D structure	Ectonucleotide pyrophosphatase/phosphodiesterase family member 3	O14638	Humans	Predicted (SEA)	22.3427
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	2616.67
Click to view 3D structure	Aurora kinase B	Q96GD4	Humans	Predicted (SEA)	2066.43
Click to view 3D structure	Serine/threonine-protein kinase PLK1	P53350	Humans	Predicted (SEA)	1602.76
Click to view 3D structure	Glycogen synthase kinase-3 beta	P49841	Humans	Predicted (SEA)	2316.64
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	3253.86
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	2451.71
Click to view 3D structure	Serine/threonine-protein kinase pim-1	P11309	Humans	Predicted (SEA)	2146.46
Click to view 3D structure	Cytochrome P450 1A2	P05177	Humans	Predicted (SEA)	1993.95
Click to view 3D structure	RAC-alpha serine/threonine-protein kinase	P31749	Humans	Predicted (SEA)	1963.59
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	3464.52
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Predicted (SEA)	2102.47