4-butyl-5-hydroxy-1,2-diphenylpyrazol-3-one (CED0136507)

Record Information

Version

1.0

Creation Date

2026-08-20 02:51:52 UTC

Update Date

2026-08-20 02:51:52 UTC

Accession Number

CHEM198527

Identification

Common Name

4-butyl-5-hydroxy-1,2-diphenylpyrazol-3-one

Class

Small Molecule

Description

4-butyl-5-hydroxy-1,2-diphenylpyrazol-3-one is an organic compound with the chemical formula C19H20N2O2 and an average molecular weight of 308.40 g/mol. 4-butyl-5-hydroxy-1,2-diphenylpyrazol-3-one belongs to the pyrazoles, a subclass of azoles within the organic compounds. This substance has been identified in or released from five recorded sources. These include food, food processing, and cookware, specifically fermentation processes for beer. Additionally, it is associated with electrical and electronic equipment, including radio transmission systems, video games, X-ray tubes, and auxiliary devices.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₉H₂₀N₂O₂

Average Molecular Mass

308.400 g/mol

Monoisotopic Mass

308.152 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,22H,2-3,14H2,1H3

InChI Key

PKYKNPLSFOKASK-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

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-00ou-9370000000-f6f91403aa17209d46df	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-0009000000-177358f95daed3278632	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-0019000000-5c422e4f25ad3e8dc415	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-004v-9620000000-b81e54996217310f2535	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-0009000000-2e34d3e14b8e9fe9f3d7	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-0019000000-c92425780f677859edb7	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00kf-9100000000-acfe7177374d84531da9	Not Available	View Spectrum

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
802.0	Log mg/kg	[450:1400]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
233	Brushes	Personal care & cosmetics	Not Available
507	Auxiliary Devices	Electrical & Electronic Equipment	Not Available
530	Radio Transmission Systems	Electrical & Electronic Equipment	Not Available
539	Video Games	Electrical & Electronic Equipment	Not Available
540	X Ray Tubes	Electrical & Electronic Equipment	Not Available
544	Fermentation Processes For Beer	Food, food processing & cookware	Not Available
609	Aftershave	Personal care & cosmetics	Not Available
613	Depilatories	Personal care & cosmetics	Not Available
617	Lip Care Products	Personal care & cosmetics	Not Available
650	Purses Luggage Hand Bags	Textiles, leather & furnishings	Not Available
662	Yarns Or Threads	Textiles, leather & furnishings	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	Pyruvate carboxylase	A0A0H3JRU9	Staphylococcus aureus (strain Mu50 / ATCC 700699)	Predicted (SEA)	1.94623
Click to view 3D structure	3-oxoacyl-[acyl-carrier-protein] synthase 1	P9WQD9	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)	Predicted (SEA)	1.71268
Click to view 3D structure	Vitamin K epoxide reductase complex subunit 1	Q6TEK4	Rattus norvegicus	Predicted (SEA)	3.42537
Click to view 3D structure	Sarcoplasmic/endoplasmic reticulum calcium ATPase 3	Q64518	Mus musculus	Predicted (SEA)	19.2288
Click to view 3D structure	Histone acetyltransferase KAT2B	Q92831	Humans	Predicted (SEA)	9.34191
Click to view 3D structure	Replicase polyprotein 1ab	P0DTD1	SARS-CoV-2	Predicted (SEA)	197.893
Click to view 3D structure	Cannabinoid receptor 2	P34972	Humans	Predicted (SEA)	210.66
Click to view 3D structure	fMet-Leu-Phe receptor	P21462	Humans	Predicted (SEA)	66.7946
Click to view 3D structure	Cannabinoid receptor 1	P21554	Humans	Predicted (SEA)	296.683
Click to view 3D structure	Type-1 angiotensin II receptor B	P29089	Rattus norvegicus	Predicted (SEA)	87.0354
Click to view 3D structure	Diacylglycerol acyltransferase/mycolyltransferase Ag85C	P9WQN9	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)	Predicted (SEA)	4.28171
Click to view 3D structure	High affinity choline transporter 1	Q9GZV3	Humans	Predicted (SEA)	56.4407
Click to view 3D structure	Potassium channel subfamily K member 2	Q920B6	Rattus norvegicus	Predicted (SEA)	3.34752
Click to view 3D structure	1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1	P08487	Bos taurus	Predicted (SEA)	13.6236
Click to view 3D structure	Type-2 angiotensin II receptor	P35351	Rattus norvegicus	Predicted (SEA)	43.1285
Click to view 3D structure	Nucleotide-binding oligomerization domain-containing protein 2	Q9HC29	Humans	Predicted (SEA)	103.072
Click to view 3D structure	Protein deacetylase HDAC6	Q9UBN7	Humans	Predicted (SEA)	1241.85
Click to view 3D structure	Histone deacetylase 2	Q92769	Humans	Predicted (SEA)	726.411
Click to view 3D structure	Heat shock factor protein 1	P38532	Mus musculus	Predicted (SEA)	243.668
Click to view 3D structure	L,D-transpeptidase 2	I6Y9J2	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)	Predicted (SEA)	4.35956
Click to view 3D structure	Sulfhydryl oxidase 1	O00391	Humans	Predicted (SEA)	4.35956
Click to view 3D structure	YTH domain-containing family protein 1	Q9BYJ9	Humans	Predicted (SEA)	4.35956
Click to view 3D structure	Sterol 24-C-methyltransferase	O74198	Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast)	Predicted (SEA)	1.47914
Click to view 3D structure	Sodium-dependent dopamine transporter	Q01959	Humans	Predicted (SEA)	853.305
Click to view 3D structure	Streptokinase A	P10520	Streptococcus pyogenes serotype M1	Predicted (SEA)	617.344