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

Systemtic Name: 4-butyl-3,5-dimethyl-pyrazole-1-carboxylic acid Openeye Name: 4-butyl-3,5-dimethyl-pyrazole-1-carboxylic acid CAS Name: 4-butyl-3,5-dimethyl-1-pyrazolecarboxylic acid IUPAC Name: 4-butyl-3,5-dimethylpyrazole-1-carboxylic acid Traditional Name: 4-butyl-3,5-dimethyl-pyrazole-1-carboxylic acid Formula: C10H16N2O2 MolecularWeight: 196.24624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(N=C1C)C(=O)O)C

Isomeric SMILES

CCCCC1=C(N(N=C1C)C(=O)O)C

InChI

InChI=1S/C10H16N2O2/c1-4-5-6-9-7(2)11-12(8(9)3)10(13)14/h4-6H2,1-3H3,(H,13,14)