1-Isobutyl-3,4-diphenylpyrazole-5-acetic acid
Basic information
- CAS
50270-32-1- Standard SMILES
CC(C)Cn1nc(-c2ccccc2)c(-c2ccccc2)c1CC(=O)O- InChIKey
JBJASTVVFKIZBG-UHFFFAOYSA-N- Molecular formula
- C21H22N2O2
- Average molar mass
- 334.4 g/mol
- Monoisotopic mass
- 334.16812795
Overview
Bufezolac is a small molecule drug. The usage of the INN stem '-ac' in the name indicates that Bufezolac is a anti-inflammatory agent, ibufenac derivative. Bufezolac has a monoisotopic molecular weight of 334.17 Da.
Names & identifiers
- Preferred name
- 1-Isobutyl-3,4-diphenylpyrazole-5-acetic acid
- IUPAC
- 2-[2-(2-methylpropyl)-4,5-diphenylpyrazol-3-yl]acetic acid
- English name
- Bufezolac
- Molecular formula
- C21H22N2O2
- Molecular weight
- 334.417
Names & synonyms
1-Isobutyl-3,4-diphenylpyrazole-5-acetic acidLM-220701H-Pyrazole-5-acetic acid, 1-(2-methylpropyl)-3,4-diphenyl-RefChem:907645Bufezolac50270-32-1BufezolacoBufezolac [INN]2-[2-(2-methylpropyl)-4,5-diphenylpyrazol-3-yl]acetic acidPUA774J9MPBufezolacumUNII-PUA774J9MP
Show more names
1-Isobutyl-3,4-diphenyl-1H-pyrazole-5-acetic acid
Bufezolacum [INN-Latin]Bufezolaco [INN-Spanish]LM 220701-Isobutyl-3,4-diphenyl-5-pyrazolylessigsaeureSCHEMBL287215orb1698016CHEMBL21055352-(1-isobutyl-3,4-diphenyl-1H-pyrazol-5-yl)acetic acid
Database identifiers
- CAS
50270-32-1- PubChem CID
- 68676
- DTXSID
DTXSID80198272- ChEMBL
CHEMBL2105535- UNII
- PUA774J9MP
- Nikkaji
- J10.371C
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 428
Physicochemical properties
- FDA UNII
- 774 J9MP · PUA774J9MP
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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