1-(phenylmethyl)-3-pyridin-4-yl-pyrazole-4-carboxylic acid

Systemtic Name: 1-(phenylmethyl)-3-pyridin-4-yl-pyrazole-4-carboxylic acid Openeye Name: 1-benzyl-3-(4-pyridyl)pyrazole-4-carboxylic acid CAS Name: 1-(phenylmethyl)-3-pyridin-4-yl-4-pyrazolecarboxylic acid IUPAC Name: 1-benzyl-3-pyridin-4-ylpyrazole-4-carboxylic acid Traditional Name: 1-benzyl-3-(4-pyridyl)pyrazole-4-carboxylic acid Formula: C16H13N3O2 MolecularWeight: 279.29332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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