5-ethyl-3-(2-methylpropyl)-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid

Systemtic Name: 5-ethyl-3-(2-methylpropyl)-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Openeye Name: 5-ethyl-3-isobutyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid CAS Name: 5-ethyl-3-(2-methylpropyl)-1-[2-(trifluoromethyl)phenyl]-4-pyrazolecarboxylic acid IUPAC Name: 5-ethyl-3-(2-methylpropyl)-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Traditional Name: 5-ethyl-3-isobutyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Formula: C17H19F3N2O2 MolecularWeight: 340.34017

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1C2=CC=CC=C2C(F)(F)F)CC(C)C)C(=O)O

Isomeric SMILES

CCC1=C(C(=NN1C2=CC=CC=C2C(F)(F)F)CC(C)C)C(=O)O

InChI

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