2-(3-chloranylpyridin-2-yl)-5-(phenylmethyl)pyrazole-3-carboxylic acid

Systemtic Name: 2-(3-chloranylpyridin-2-yl)-5-(phenylmethyl)pyrazole-3-carboxylic acid Openeye Name: 5-benzyl-2-(3-chloro-2-pyridyl)pyrazole-3-carboxylic acid CAS Name: 2-(3-chloro-2-pyridinyl)-5-(phenylmethyl)-3-pyrazolecarboxylic acid IUPAC Name: 5-benzyl-2-(3-chloropyridin-2-yl)pyrazole-3-carboxylic acid Traditional Name: 5-benzyl-2-(3-chloro-2-pyridyl)pyrazole-3-carboxylic acid Formula: C16H12ClN3O2 MolecularWeight: 313.73838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN(C(=C2)C(=O)O)C3=C(C=CC=N3)Cl

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN(C(=C2)C(=O)O)C3=C(C=CC=N3)Cl

InChI

InChI=1S/C16H12ClN3O2/c17-13-7-4-8-18-15(13)20-14(16(21)22)10-12(19-20)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,21,22)