1-(4-cyanophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid

Systemtic Name: 1-(4-cyanophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid Openeye Name: 1-(4-cyanophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid CAS Name: 1-(4-cyanophenyl)-5-(trifluoromethyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-cyanophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid Traditional Name: 1-(4-cyanophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid Formula: C12H6F3N3O2 MolecularWeight: 281.19015

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)N2C(=C(C=N2)C(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C#N)N2C(=C(C=N2)C(=O)O)C(F)(F)F

InChI

InChI=1S/C12H6F3N3O2/c13-12(14,15)10-9(11(19)20)6-17-18(10)8-3-1-7(5-16)2-4-8/h1-4,6H,(H,19,20)