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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=NN1C2=CC=CC=C2C(F)(F)F)CCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCC1=C(C(=NN1C2=CC=CC=C2C(F)(F)F)CCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H21F3N2O2/c1-2-8-19-20(21(28)29)17(14-13-15-9-4-3-5-10-15)26-27(19)18-12-7-6-11-16(18)22(23,24)25/h3-7,9-12H,2,8,13-14H2,1H3,(H,28,29)