Basic information
- CAS
32683-54-8- Standard SMILES
Cc1c(Nc2ccc(C(=O)O)cc2)c(=O)n(-c2ccccc2)n1C- InChIKey
RLMROJFOKGLOEJ-UHFFFAOYSA-N- Molecular formula
- C18H17N3O3
- Average molar mass
- 323.3 g/mol
- Monoisotopic mass
- 323.12699141
Names & identifiers
- Preferred name
- Benzoic acid, ((2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amino)-
- IUPAC
- 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]benzoic acid
- English name
- 2-[(2,3-Dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amino]benzoic acid
- Molecular formula
- C18H17N3O3
- Molecular weight
- 323.35
Names & synonyms
BRN 069979632683-54-8((2,3-Dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amino)benzoic acidN-((2,3-Dimethyl-5-oxo-1-phenyl)-3-pyrazoline-4-yl)anthranilic acidBENZOIC ACID, ((2,3-DIHYDRO-1,5-DIMETHYL-3-OXO-2-PHENYL-1H-PYRAZOL-4-YL)AMINO)-5-25-14-00141 (Beilstein Handbook Reference)RefChem:326508DTXSID009543724-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]benzoic acid2-[(2,3-Dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amino]benzoic acidBenzoic acid, 2-[(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amino]-
Database identifiers
- CAS
32683-54-8- PubChem CID
- 36211
- DTXSID
DTXSID00954372
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 532
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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