5-(2-methylpropyl)-1H-pyrazole-3-carboxylic acid

Systemtic Name: 5-(2-methylpropyl)-1H-pyrazole-3-carboxylic acid Openeye Name: 5-isobutyl-1H-pyrazole-3-carboxylic acid CAS Name: 5-(2-methylpropyl)-1H-pyrazole-3-carboxylic acid IUPAC Name: 5-(2-methylpropyl)-1H-pyrazole-3-carboxylic acid Traditional Name: 5-isobutyl-1H-pyrazole-3-carboxylic acid Formula: C8H12N2O2 MolecularWeight: 168.19308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC(=NN1)C(=O)O

Isomeric SMILES

CC(C)CC1=CC(=NN1)C(=O)O

InChI

InChI=1S/C8H12N2O2/c1-5(2)3-6-4-7(8(11)12)10-9-6/h4-5H,3H2,1-2H3,(H,9,10)(H,11,12)