Molecule ID: 3778

IUPAC Name: 1,5-dimethyl-2-phenyl-4-propan-2-ylpyrazol-3-one

Description: The molecule is a pyrazolone derivative that is antipyrine substituted at C-4 by an isopropyl group. It has a role as a non-steroidal anti-inflammatory drug, a non-narcotic analgesic and a peripheral nervous system drug. It derives from an antipyrine.

SMILES: Cc1c(C(C)C)c(=O)n(-c2ccccc2)n1C

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

InChI: InChI=1S/C14H18N2O/c1-10(2)13-11(3)15(4)16(14(13)17)12-8-6-5-7-9-12/h5-10H,1-4H3

Molecular Properties:
- Polar Surface Area: 23.6 Ų
- LogP: 1.7