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

Systemtic Name: 5-methyl-3-phenethyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Openeye Name: 5-methyl-3-phenethyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid CAS Name: 5-methyl-3-phenethyl-1-[2-(trifluoromethyl)phenyl]-4-pyrazolecarboxylic acid IUPAC Name: 5-methyl-3-phenethyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Traditional Name: 5-methyl-3-phenethyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Formula: C20H17F3N2O2 MolecularWeight: 374.35639

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2C(F)(F)F)CCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2C(F)(F)F)CCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C20H17F3N2O2/c1-13-18(19(26)27)16(12-11-14-7-3-2-4-8-14)24-25(13)17-10-6-5-9-15(17)20(21,22)23/h2-10H,11-12H2,1H3,(H,26,27)