Pirazolac
Basic information
- CAS
71002-09-0- Standard SMILES
O=C(O)Cc1nn(-c2ccc(F)cc2)cc1-c1ccc(Cl)cc1- InChIKey
YAMFWQIVVMITPG-UHFFFAOYSA-N- Molecular formula
- C17H12ClFN2O2
- Average molar mass
- 330.7 g/mol
- Monoisotopic mass
- 330.0571335
Overview
Pirazolac is a small molecule drug. The usage of the INN stem '-ac' in the name indicates that Pirazolac is a anti-inflammatory agent, ibufenac derivative. Pirazolac has a monoisotopic molecular weight of 330.06 Da.
Names & identifiers
- Preferred name
- Pirazolac
- IUPAC
- 2-[4-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]acetic acid
- English name
- pirazolac
- Molecular formula
- C17H12ClFN2O2
- Molecular weight
- 330.74
Names & synonyms
PIRAZOLAC71002-09-0PirazolacoZK-76604PirazolacumZK 76 604FWY2578LP5ZK-76 604DTXSID002212334-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazole-3-acetic acidRefChem:929344DTXCID00143724
Show more names
1-(4-Fluorophenyl)-4-(4-chlorophenyl)-1H-pyrazole-3-acetic acid1H-Pyrazole-3-acetic acid, 4-(4-chlorophenyl)-1-(4-fluorophenyl)-
275-102-32-[4-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]acetic acid4-(4-Chlorophenyl)-1-(4-fluorophenyl)-1H-pyrazole-3-acetic acidPirazolacum [INN-Latin]Pirazolaco [INN-Spanish]UNII-FWY2578LP5Pirazolac [USAN:INN:BAN]EINECS 275-102-3
Database identifiers
- CAS
71002-09-0- PubChem CID
- 51222
- DTXSID
DTXSID00221233- ChEMBL
CHEMBL249446- UNII
- FWY2578LP5
- EC Number
- 275-102-3
- Nikkaji
- J19.084E
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 409
Physicochemical properties
- Melting point
- 148 · 148-149°; mp 135-136°
- Boiling point
- 520.8 · 520.8±50.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- pka
- 3.94 · 3.94±0.10(Predicted)
- FDA UNII
- 2578 LP5 · FWY2578LP5
Chemistry & industry
Applications
UsesAntirheumatic.
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Related reactions
2 records
Compound notes
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