Molecule ID: 119498

IUPAC Name: 4-(2,4-dichlorobenzoyl)-2,5-dimethyl-1H-pyrazol-3-one

Description: The molecule is a member of the class of pyrazoles that is pyrazolynate in which the tosylate ester has been hydrolysed to the corresponding hydroxy compound. The active herbicide of the proherbicides pyrazolynate and pyrazoxyfen. It has a role as an EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor, an agrochemical, a carotenoid biosynthesis inhibitor and a herbicide. It is a member of acetophenones, a dichlorobenzene, a member of pyrazoles, an organic hydroxy compound and a pyrazole pesticide.

SMILES: Cc1[nH]n(C)c(=O)c1C(=O)c1ccc(Cl)cc1Cl

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

InChI: InChI=1S/C12H10Cl2N2O2/c1-6-10(12(18)16(2)15-6)11(17)8-4-3-7(13)5-9(8)14/h3-5,15H,1-2H3

Molecular Properties:
- Polar Surface Area: 49.4 Ų
- LogP: 3.1