Molecule ID: 2206

IUPAC Name: 1,5-dimethyl-2-phenylpyrazol-3-one

Description: The molecule is a pyrazolone derivative that is 1,2-dihydropyrazol-3-one substituted with methyl groups at C-1 and C-5 and with a phenyl group at N-2. It has a role as a non-narcotic analgesic, an antipyretic, a non-steroidal anti-inflammatory drug, a cyclooxygenase 3 inhibitor, a xenobiotic and an environmental contaminant.

SMILES: Cc1cc(=O)n(-c2ccccc2)n1C

SELFIES: [C][C][=C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][N][C]

InChI: InChI=1S/C11H12N2O/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3

Molecular Properties:
- Polar Surface Area: 23.6 Ų
- LogP: 0.4