1-heptyl-3,5-dimethyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-heptyl-3,5-dimethyl-pyrazole-4-carboxylic acid Openeye Name: 1-heptyl-3,5-dimethyl-pyrazole-4-carboxylic acid CAS Name: 1-heptyl-3,5-dimethyl-4-pyrazolecarboxylic acid IUPAC Name: 1-heptyl-3,5-dimethylpyrazole-4-carboxylic acid Traditional Name: 1-heptyl-3,5-dimethyl-pyrazole-4-carboxylic acid Formula: C13H22N2O2 MolecularWeight: 238.32598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(=C(C(=N1)C)C(=O)O)C

Isomeric SMILES

CCCCCCCN1C(=C(C(=N1)C)C(=O)O)C

InChI

InChI=1S/C13H22N2O2/c1-4-5-6-7-8-9-15-11(3)12(13(16)17)10(2)14-15/h4-9H2,1-3H3,(H,16,17)