3,5-dimethyl-1-(3-methylbutyl)pyrazole-4-carboxylic acid

Systemtic Name: 3,5-dimethyl-1-(3-methylbutyl)pyrazole-4-carboxylic acid Openeye Name: 1-isopentyl-3,5-dimethyl-pyrazole-4-carboxylic acid CAS Name: 3,5-dimethyl-1-(3-methylbutyl)-4-pyrazolecarboxylic acid IUPAC Name: 3,5-dimethyl-1-(3-methylbutyl)pyrazole-4-carboxylic acid Traditional Name: 1-isoamyl-3,5-dimethyl-pyrazole-4-carboxylic acid Formula: C11H18N2O2 MolecularWeight: 210.27282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC(C)C)C)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1CCC(C)C)C)C(=O)O

InChI

InChI=1S/C11H18N2O2/c1-7(2)5-6-13-9(4)10(11(14)15)8(3)12-13/h7H,5-6H2,1-4H3,(H,14,15)