ethyl 3-cyano-1-(3-methylpentan-3-yl)pyrazole-4-carboxylate

Systemtic Name: ethyl 3-cyano-1-(3-methylpentan-3-yl)pyrazole-4-carboxylate Openeye Name: ethyl 3-cyano-1-(1-ethyl-1-methyl-propyl)pyrazole-4-carboxylate CAS Name: 3-cyano-1-(3-methylpentan-3-yl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-cyano-1-(3-methylpentan-3-yl)pyrazole-4-carboxylate Traditional Name: 3-cyano-1-(1-ethyl-1-methyl-propyl)pyrazole-4-carboxylic acid ethyl ester Formula: C13H19N3O2 MolecularWeight: 249.30886

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC)N1C=C(C(=N1)C#N)C(=O)OCC

Isomeric SMILES

CCC(C)(CC)N1C=C(C(=N1)C#N)C(=O)OCC

InChI

InChI=1S/C13H19N3O2/c1-5-13(4,6-2)16-9-10(11(8-14)15-16)12(17)18-7-3/h9H,5-7H2,1-4H3