1-(3-methylbutyl)pyrazole-4-carboxylic acid

Systemtic Name: 1-(3-methylbutyl)pyrazole-4-carboxylic acid Openeye Name: 1-isopentylpyrazole-4-carboxylic acid CAS Name: 1-(3-methylbutyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-methylbutyl)pyrazole-4-carboxylic acid Traditional Name: 1-isoamylpyrazole-4-carboxylic acid Formula: C9H14N2O2 MolecularWeight: 182.21966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C=C(C=N1)C(=O)O

Isomeric SMILES

CC(C)CCN1C=C(C=N1)C(=O)O

InChI

InChI=1S/C9H14N2O2/c1-7(2)3-4-11-6-8(5-10-11)9(12)13/h5-7H,3-4H2,1-2H3,(H,12,13)