1-(3-cyanophenyl)-5-(trifluoromethyl)pyrazole-3-carboxylic acid

Systemtic Name: 1-(3-cyanophenyl)-5-(trifluoromethyl)pyrazole-3-carboxylic acid Openeye Name: 1-(3-cyanophenyl)-5-(trifluoromethyl)pyrazole-3-carboxylic acid CAS Name: 1-(3-cyanophenyl)-5-(trifluoromethyl)-3-pyrazolecarboxylic acid IUPAC Name: 1-(3-cyanophenyl)-5-(trifluoromethyl)pyrazole-3-carboxylic acid Traditional Name: 1-(3-cyanophenyl)-5-(trifluoromethyl)pyrazole-3-carboxylic acid Formula: C12H6F3N3O2 MolecularWeight: 281.19015

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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