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

Systemtic Name: 5-ethyl-3-(2-phenylpropyl)-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Openeye Name: 5-ethyl-3-(2-phenylpropyl)-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid CAS Name: 5-ethyl-3-(2-phenylpropyl)-1-[2-(trifluoromethyl)phenyl]-4-pyrazolecarboxylic acid IUPAC Name: 5-ethyl-3-(2-phenylpropyl)-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Traditional Name: 5-ethyl-3-(2-phenylpropyl)-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Formula: C22H21F3N2O2 MolecularWeight: 402.40955

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1C2=CC=CC=C2C(F)(F)F)CC(C)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCC1=C(C(=NN1C2=CC=CC=C2C(F)(F)F)CC(C)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H21F3N2O2/c1-3-18-20(21(28)29)17(13-14(2)15-9-5-4-6-10-15)26-27(18)19-12-8-7-11-16(19)22(23,24)25/h4-12,14H,3,13H2,1-2H3,(H,28,29)