Molecule ID: 29182137

IUPAC Name: 1-[3-[3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]phenyl]phenyl]ethanone

Description: The molecule is a member of the class of pyrazoles 1-[2-(morpholin-4-yl)ethyl]pyrazole carrying an additional 3'-acetyl-1,1'-biphenyl-3-yl group at position 3. An antagonist at LRH-1. It has a role as a LRH-1 antagonist. It is a member of pyrazoles, a member of morpholines, a methyl ketone, a ring assembly and an aromatic ketone.

SMILES: CC(=O)c1cccc(-c2cccc(-c3ccn(CCN4CCOCC4)n3)c2)c1

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

InChI: InChI=1S/C23H25N3O2/c1-18(27)19-4-2-5-20(16-19)21-6-3-7-22(17-21)23-8-9-26(24-23)11-10-25-12-14-28-15-13-25/h2-9,16-17H,10-15H2,1H3

Molecular Properties:
- Polar Surface Area: 47.4 Ų
- LogP: 2.8