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

Systemtic Name: 5-cyano-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Openeye Name: 5-cyano-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid CAS Name: 5-cyano-1-[3-(trifluoromethyl)phenyl]-4-pyrazolecarboxylic acid IUPAC Name: 5-cyano-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Traditional Name: 5-cyano-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Formula: C12H6F3N3O2 MolecularWeight: 281.19015

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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