Molecule ID: 16639

IUPAC Name: 4-butyl-1-phenylpyrazolidine-3,5-dione

Description: The molecule is a pyrazolidine that is phenylbutazone lacking one of the phenyl substituents. It is used for treatment of joint and muscular pain. It has a role as a non-steroidal anti-inflammatory drug and a non-narcotic analgesic.

SMILES: CCCCC1C(=O)N(c2ccccc2)N=C1O

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

InChI: InChI=1S/C13H16N2O2/c1-2-3-9-11-12(16)14-15(13(11)17)10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3,(H,14,16)

Molecular Properties:
- Polar Surface Area: 49.4 Ų
- LogP: 2.7