5-cyano-1-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-cyano-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 5-cyano-1-methyl-pyrazole-4-carboxylic acid CAS Name: 5-cyano-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 5-cyano-1-methylpyrazole-4-carboxylic acid Traditional Name: 5-cyano-1-methyl-pyrazole-4-carboxylic acid Formula: C6H5N3O2 MolecularWeight: 151.1228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C(=O)O)C#N

Isomeric SMILES

CN1C(=C(C=N1)C(=O)O)C#N

InChI

InChI=1S/C6H5N3O2/c1-9-5(2-7)4(3-8-9)6(10)11/h3H,1H3,(H,10,11)