1-(4-methylphenyl)-5-pyridin-4-yl-pyrazole-3-carboxylate

Systemtic Name: 1-(4-methylphenyl)-5-pyridin-4-yl-pyrazole-3-carboxylate Openeye Name: 1-(p-tolyl)-5-(4-pyridyl)pyrazole-3-carboxylate CAS Name: 1-(4-methylphenyl)-5-pyridin-4-yl-3-pyrazolecarboxylate IUPAC Name: 1-(4-methylphenyl)-5-pyridin-4-ylpyrazole-3-carboxylate Traditional Name: 1-(p-tolyl)-5-(4-pyridyl)pyrazole-3-carboxylate Formula: C16H12N3O2- MolecularWeight: 278.28538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=N2)C(=O)[O-])C3=CC=NC=C3

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=N2)C(=O)[O-])C3=CC=NC=C3

InChI

InChI=1S/C16H13N3O2/c1-11-2-4-13(5-3-11)19-15(10-14(18-19)16(20)21)12-6-8-17-9-7-12/h2-10H,1H3,(H,20,21)/p-1