3-(1-butyl-3,5-dimethyl-pyrazol-4-yl)propanoic acid

Systemtic Name: 3-(1-butyl-3,5-dimethyl-pyrazol-4-yl)propanoic acid Openeye Name: 3-(1-butyl-3,5-dimethyl-pyrazol-4-yl)propanoic acid CAS Name: 3-(1-butyl-3,5-dimethyl-4-pyrazolyl)propanoic acid IUPAC Name: 3-(1-butyl-3,5-dimethylpyrazol-4-yl)propanoic acid Traditional Name: 3-(1-butyl-3,5-dimethyl-pyrazol-4-yl)propionic acid Formula: C12H20N2O2 MolecularWeight: 224.2994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)CCC(=O)O)C

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)CCC(=O)O)C

InChI

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