3-cyanopropyl 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: 3-cyanopropyl 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate Openeye Name: 3-cyanopropyl 3-(p-tolyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(p-tolyl)-1H-pyrazole-5-carboxylic acid 3-cyanopropyl ester Formula: C15H15N3O2 MolecularWeight: 269.2985

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)OCCCC#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)OCCCC#N

InChI

InChI=1S/C15H15N3O2/c1-11-4-6-12(7-5-11)13-10-14(18-17-13)15(19)20-9-3-2-8-16/h4-7,10H,2-3,9H2,1H3,(H,17,18)