5-cyano-1-(2-methylpentan-2-yl)pyrazole-4-carboxylic acid

Systemtic Name: 5-cyano-1-(2-methylpentan-2-yl)pyrazole-4-carboxylic acid Openeye Name: 5-cyano-1-(1,1-dimethylbutyl)pyrazole-4-carboxylic acid CAS Name: 5-cyano-1-(2-methylpentan-2-yl)-4-pyrazolecarboxylic acid IUPAC Name: 5-cyano-1-(2-methylpentan-2-yl)pyrazole-4-carboxylic acid Traditional Name: 5-cyano-1-(1,1-dimethylbutyl)pyrazole-4-carboxylic acid Formula: C11H15N3O2 MolecularWeight: 221.2557

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C)N1C(=C(C=N1)C(=O)O)C#N

Isomeric SMILES

CCCC(C)(C)N1C(=C(C=N1)C(=O)O)C#N

InChI

InChI=1S/C11H15N3O2/c1-4-5-11(2,3)14-9(6-12)8(7-13-14)10(15)16/h7H,4-5H2,1-3H3,(H,15,16)