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

Systemtic Name: 1-hexyl-3,5-dimethyl-pyrazole-4-carboxylic acid Openeye Name: 1-hexyl-3,5-dimethyl-pyrazole-4-carboxylic acid CAS Name: 1-hexyl-3,5-dimethyl-4-pyrazolecarboxylic acid IUPAC Name: 1-hexyl-3,5-dimethylpyrazole-4-carboxylic acid Traditional Name: 1-hexyl-3,5-dimethyl-pyrazole-4-carboxylic acid Formula: C12H20N2O2 MolecularWeight: 224.2994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=C(C(=N1)C)C(=O)O)C

Isomeric SMILES

CCCCCCN1C(=C(C(=N1)C)C(=O)O)C

InChI

InChI=1S/C12H20N2O2/c1-4-5-6-7-8-14-10(3)11(12(15)16)9(2)13-14/h4-8H2,1-3H3,(H,15,16)