5-cyano-1-(3-ethylpentan-3-yl)pyrazole-4-carboxylic acid

Systemtic Name: 5-cyano-1-(3-ethylpentan-3-yl)pyrazole-4-carboxylic acid Openeye Name: 5-cyano-1-(1,1-diethylpropyl)pyrazole-4-carboxylic acid CAS Name: 5-cyano-1-(3-ethylpentan-3-yl)-4-pyrazolecarboxylic acid IUPAC Name: 5-cyano-1-(3-ethylpentan-3-yl)pyrazole-4-carboxylic acid Traditional Name: 5-cyano-1-(1,1-diethylpropyl)pyrazole-4-carboxylic acid Formula: C12H17N3O2 MolecularWeight: 235.28228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O2/c1-4-12(5-2,6-3)15-10(7-13)9(8-14-15)11(16)17/h8H,4-6H2,1-3H3,(H,16,17)