5-ethyl-1-(4-methylphenyl)-3-propyl-pyrazole-4-carboxylate

Systemtic Name: 5-ethyl-1-(4-methylphenyl)-3-propyl-pyrazole-4-carboxylate Openeye Name: 5-ethyl-3-propyl-1-(p-tolyl)pyrazole-4-carboxylate CAS Name: 5-ethyl-1-(4-methylphenyl)-3-propyl-4-pyrazolecarboxylate IUPAC Name: 5-ethyl-1-(4-methylphenyl)-3-propylpyrazole-4-carboxylate Traditional Name: 5-ethyl-3-propyl-1-(p-tolyl)pyrazole-4-carboxylate Formula: C16H19N2O2- MolecularWeight: 271.33426

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1C(=O)[O-])CC)C2=CC=C(C=C2)C

Isomeric SMILES

CCCC1=NN(C(=C1C(=O)[O-])CC)C2=CC=C(C=C2)C

InChI

InChI=1S/C16H20N2O2/c1-4-6-13-15(16(19)20)14(5-2)18(17-13)12-9-7-11(3)8-10-12/h7-10H,4-6H2,1-3H3,(H,19,20)/p-1