(phenylmethyl) 5-methyl-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxylate

Systemtic Name: (phenylmethyl) 5-methyl-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxylate Openeye Name: benzyl 5-methyl-1-[5-(trifluoromethyl)-2-pyridyl]pyrazole-4-carboxylate CAS Name: 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]-4-pyrazolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-methyl-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxylate Traditional Name: 5-methyl-1-[5-(trifluoromethyl)-2-pyridyl]pyrazole-4-carboxylic acid benzyl ester Formula: C18H14F3N3O2 MolecularWeight: 361.31787

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NC=C(C=C2)C(F)(F)F)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=NN1C2=NC=C(C=C2)C(F)(F)F)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C18H14F3N3O2/c1-12-15(17(25)26-11-13-5-3-2-4-6-13)10-23-24(12)16-8-7-14(9-22-16)18(19,20)21/h2-10H,11H2,1H3