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

Systemtic Name: 3-phenethyl-5-phenyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Openeye Name: 3-phenethyl-5-phenyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid CAS Name: 3-phenethyl-5-phenyl-1-[2-(trifluoromethyl)phenyl]-4-pyrazolecarboxylic acid IUPAC Name: 3-phenethyl-5-phenyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Traditional Name: 3-phenethyl-5-phenyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Formula: C25H19F3N2O2 MolecularWeight: 436.42577

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=NN(C(=C2C(=O)O)C3=CC=CC=C3)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CCC2=NN(C(=C2C(=O)O)C3=CC=CC=C3)C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C25H19F3N2O2/c26-25(27,28)19-13-7-8-14-21(19)30-23(18-11-5-2-6-12-18)22(24(31)32)20(29-30)16-15-17-9-3-1-4-10-17/h1-14H,15-16H2,(H,31,32)