5-(4-methylpentyl)-1H-pyrazole-3-carboxylic acid

Systemtic Name: 5-(4-methylpentyl)-1H-pyrazole-3-carboxylic acid Openeye Name: 5-isohexyl-1H-pyrazole-3-carboxylic acid CAS Name: 5-(4-methylpentyl)-1H-pyrazole-3-carboxylic acid IUPAC Name: 5-(4-methylpentyl)-1H-pyrazole-3-carboxylic acid Traditional Name: 5-isohexyl-1H-pyrazole-3-carboxylic acid Formula: C10H16N2O2 MolecularWeight: 196.24624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC1=CC(=NN1)C(=O)O

Isomeric SMILES

CC(C)CCCC1=CC(=NN1)C(=O)O

InChI

InChI=1S/C10H16N2O2/c1-7(2)4-3-5-8-6-9(10(13)14)12-11-8/h6-7H,3-5H2,1-2H3,(H,11,12)(H,13,14)