6-[1-(phenylmethyl)pyrazol-4-yl]pyridine-3-carboxylic acid

Systemtic Name: 6-[1-(phenylmethyl)pyrazol-4-yl]pyridine-3-carboxylic acid Openeye Name: 6-(1-benzylpyrazol-4-yl)pyridine-3-carboxylic acid CAS Name: 6-[1-(phenylmethyl)-4-pyrazolyl]-3-pyridinecarboxylic acid IUPAC Name: 6-(1-benzylpyrazol-4-yl)pyridine-3-carboxylic acid Traditional Name: 6-(1-benzylpyrazol-4-yl)nicotinic acid Formula: C16H13N3O2 MolecularWeight: 279.29332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C=N2)C3=NC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C=N2)C3=NC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H13N3O2/c20-16(21)13-6-7-15(17-8-13)14-9-18-19(11-14)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,20,21)