1-methyl-4-(3-methylbutylcarbamoyl)pyrazole-3-carboxylic acid

Systemtic Name: 1-methyl-4-(3-methylbutylcarbamoyl)pyrazole-3-carboxylic acid Openeye Name: 4-(isopentylcarbamoyl)-1-methyl-pyrazole-3-carboxylic acid CAS Name: 1-methyl-4-[(3-methylbutylamino)-oxomethyl]-3-pyrazolecarboxylic acid IUPAC Name: 1-methyl-4-(3-methylbutylcarbamoyl)pyrazole-3-carboxylic acid Traditional Name: 4-(isoamylcarbamoyl)-1-methyl-pyrazole-3-carboxylic acid Formula: C11H17N3O3 MolecularWeight: 239.27098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1=CN(N=C1C(=O)O)C

Isomeric SMILES

CC(C)CCNC(=O)C1=CN(N=C1C(=O)O)C

InChI

InChI=1S/C11H17N3O3/c1-7(2)4-5-12-10(15)8-6-14(3)13-9(8)11(16)17/h6-7H,4-5H2,1-3H3,(H,12,15)(H,16,17)