Molecule ID: 56602311

IUPAC Name: 2-(3-chloropyridin-2-yl)-N-[4-cyano-2-methyl-6-(methylcarbamoyl)phenyl]-5-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-3-carboxamide

Description: The molecule is a carboxamide that is cyantraniliprole in which the bromine atom has been replaced by a [5-(trifluoromethyl)-2H-tetrazol-2-yl]methyl group. It has a role as a ryanodine receptor agonist. It is a nitrile, an organochlorine compound, a pyrazole insecticide, a member of pyridines, a member of tetrazoles, an organofluorine compound and a secondary carboxamide.

SMILES: CN=C(O)c1cc(C#N)cc(C)c1NC(=O)c1cc(Cn2nnc(C(F)(F)F)n2)nn1-c1ncccc1Cl

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

InChI: InChI=1S/C22H16ClF3N10O2/c1-11-6-12(9-27)7-14(19(37)28-2)17(11)30-20(38)16-8-13(10-35-33-21(31-34-35)22(24,25)26)32-36(16)18-15(23)4-3-5-29-18/h3-8H,10H2,1-2H3,(H,28,37)(H,30,38)

Molecular Properties:
- Polar Surface Area: 156.0 Ų
- LogP: 3.6