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

Systemtic Name: 3-(2,2-dimethylpropyl)-5-ethyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Openeye Name: 3-(2,2-dimethylpropyl)-5-ethyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid CAS Name: 3-(2,2-dimethylpropyl)-5-ethyl-1-[2-(trifluoromethyl)phenyl]-4-pyrazolecarboxylic acid IUPAC Name: 3-(2,2-dimethylpropyl)-5-ethyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Traditional Name: 5-ethyl-3-neopentyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Formula: C18H21F3N2O2 MolecularWeight: 354.36675

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21F3N2O2/c1-5-13-15(16(24)25)12(10-17(2,3)4)22-23(13)14-9-7-6-8-11(14)18(19,20)21/h6-9H,5,10H2,1-4H3,(H,24,25)