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

Systemtic Name: 3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylic acid Openeye Name: 1-isobutyl-3-methyl-pyrazole-4-carboxylic acid CAS Name: 3-methyl-1-(2-methylpropyl)-4-pyrazolecarboxylic acid IUPAC Name: 3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylic acid Traditional Name: 1-isobutyl-3-methyl-pyrazole-4-carboxylic acid Formula: C9H14N2O2 MolecularWeight: 182.21966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C(=O)O)CC(C)C

Isomeric SMILES

CC1=NN(C=C1C(=O)O)CC(C)C

InChI

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