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

Systemtic Name: 5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxylic acid Openeye Name: 5-ethyl-1-isobutyl-pyrazole-4-carboxylic acid CAS Name: 5-ethyl-1-(2-methylpropyl)-4-pyrazolecarboxylic acid IUPAC Name: 5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxylic acid Traditional Name: 5-ethyl-1-isobutyl-pyrazole-4-carboxylic acid Formula: C10H16N2O2 MolecularWeight: 196.24624

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NN1CC(C)C)C(=O)O

Isomeric SMILES

CCC1=C(C=NN1CC(C)C)C(=O)O

InChI

InChI=1S/C10H16N2O2/c1-4-9-8(10(13)14)5-11-12(9)6-7(2)3/h5,7H,4,6H2,1-3H3,(H,13,14)