Molecule ID: 3824

IUPAC Name: 4-(3-oxobutyl)-1,2-diphenylpyrazolidine-3,5-dione

Description: The molecule is a pyrazolidine that is phenylbutazone in which the two methylene hydrogens at postion 3 on the butyl chain are replaced by an oxo group. It has a role as a non-steroidal anti-inflammatory drug and a non-narcotic analgesic. It is a member of pyrazolidines and a methyl ketone. It derives from a phenylbutazone.

SMILES: CC(=O)CCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O

SELFIES: [C][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][C][=O]

InChI: InChI=1S/C19H18N2O3/c1-14(22)12-13-17-18(23)20(15-8-4-2-5-9-15)21(19(17)24)16-10-6-3-7-11-16/h2-11,17H,12-13H2,1H3

Molecular Properties:
- Polar Surface Area: 57.7 Ų
- LogP: 1.2