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

Systemtic Name: 5-methyl-3-(2-methylpropyl)-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Openeye Name: 3-isobutyl-5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid CAS Name: 5-methyl-3-(2-methylpropyl)-1-[2-(trifluoromethyl)phenyl]-4-pyrazolecarboxylic acid IUPAC Name: 5-methyl-3-(2-methylpropyl)-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Traditional Name: 3-isobutyl-5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Formula: C16H17F3N2O2 MolecularWeight: 326.31359

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2C(F)(F)F)CC(C)C)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2C(F)(F)F)CC(C)C)C(=O)O

InChI

InChI=1S/C16H17F3N2O2/c1-9(2)8-12-14(15(22)23)10(3)21(20-12)13-7-5-4-6-11(13)16(17,18)19/h4-7,9H,8H2,1-3H3,(H,22,23)