ethyl 5-(2-methylpropyl)-2-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate

Systemtic Name: ethyl 5-(2-methylpropyl)-2-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate Openeye Name: ethyl 5-isobutyl-2-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate CAS Name: 5-(2-methylpropyl)-2-[4-(trifluoromethyl)phenyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(2-methylpropyl)-2-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate Traditional Name: 5-isobutyl-2-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid ethyl ester Formula: C17H19F3N2O2 MolecularWeight: 340.34017

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NN1C2=CC=C(C=C2)C(F)(F)F)CC(C)C

Isomeric SMILES

CCOC(=O)C1=CC(=NN1C2=CC=C(C=C2)C(F)(F)F)CC(C)C

InChI

InChI=1S/C17H19F3N2O2/c1-4-24-16(23)15-10-13(9-11(2)3)21-22(15)14-7-5-12(6-8-14)17(18,19)20/h5-8,10-11H,4,9H2,1-3H3