Molecule ID: 135543537

IUPAC Name: 4-(N-benzyl-C-methylcarbonimidoyl)-2-(2,4-dibromophenyl)-5-methyl-1H-pyrazol-3-one

Description: The molecule is a ring assembly that is the 2-(2,4-dibromophenyl) derivative of 4-[1-(benzylamino)ethylidene]-5-methyl-2,4-dihydropyrazol-3-one. It is an enamine, an organobromine compound and a pyrazolone.

SMILES: CC(=NCc1ccccc1)c1c(C)[nH]n(-c2ccc(Br)cc2Br)c1=O

SELFIES: [C][C][=Branch1][O][=N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Branch1][C][C][NH1][N][Branch1][=N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Br][C][Ring1][=C][=O]

InChI: InChI=1S/C19H17Br2N3O/c1-12(22-11-14-6-4-3-5-7-14)18-13(2)23-24(19(18)25)17-9-8-15(20)10-16(17)21/h3-10,23H,11H2,1-2H3

Molecular Properties:
- Polar Surface Area: 44.7 Ų
- LogP: 4.9