Molecule ID: 16722148

IUPAC Name: [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(3-amino-2-hydroxypropoxy)phenyl]methanone

Description: The molecule is a racemic analogue of Ro 320-1195, where the terminal hydroxy group is replaced by an amino group. It is a benzoylpyrazole, an organofluorine compound and a primary amino compound. It derives from a Ro 320-1195.

SMILES: NCC(O)COc1cccc(C(=O)c2cnn(-c3ccc(F)cc3)c2N)c1

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

InChI: InChI=1S/C19H19FN4O3/c20-13-4-6-14(7-5-13)24-19(22)17(10-23-24)18(26)12-2-1-3-16(8-12)27-11-15(25)9-21/h1-8,10,15,25H,9,11,21-22H2

Molecular Properties:
- Polar Surface Area: 116.0 Ų
- LogP: 2.0