1-(2-methylpropyl)pyrazole-4-carboxylic acid

Systemtic Name: 1-(2-methylpropyl)pyrazole-4-carboxylic acid Openeye Name: 1-isobutylpyrazole-4-carboxylic acid CAS Name: 1-(2-methylpropyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-(2-methylpropyl)pyrazole-4-carboxylic acid Traditional Name: 1-isobutylpyrazole-4-carboxylic acid Formula: C8H12N2O2 MolecularWeight: 168.19308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=C(C=N1)C(=O)O

Isomeric SMILES

CC(C)CN1C=C(C=N1)C(=O)O

InChI

InChI=1S/C8H12N2O2/c1-6(2)4-10-5-7(3-9-10)8(11)12/h3,5-6H,4H2,1-2H3,(H,11,12)