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

Systemtic Name: 5-ethyl-3-phenethyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Openeye Name: 5-ethyl-3-phenethyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid CAS Name: 5-ethyl-3-phenethyl-1-[2-(trifluoromethyl)phenyl]-4-pyrazolecarboxylic acid IUPAC Name: 5-ethyl-3-phenethyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Traditional Name: 5-ethyl-3-phenethyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Formula: C21H19F3N2O2 MolecularWeight: 388.38297

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1C2=CC=CC=C2C(F)(F)F)CCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCC1=C(C(=NN1C2=CC=CC=C2C(F)(F)F)CCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H19F3N2O2/c1-2-17-19(20(27)28)16(13-12-14-8-4-3-5-9-14)25-26(17)18-11-7-6-10-15(18)21(22,23)24/h3-11H,2,12-13H2,1H3,(H,27,28)