3-(3,5-dimethylpyrazol-1-yl)butanoic acid

Systemtic Name: 3-(3,5-dimethylpyrazol-1-yl)butanoic acid Openeye Name: 3-(3,5-dimethylpyrazol-1-yl)butanoic acid CAS Name: 3-(3,5-dimethyl-1-pyrazolyl)butanoic acid IUPAC Name: 3-(3,5-dimethylpyrazol-1-yl)butanoic acid Traditional Name: 3-(3,5-dimethylpyrazol-1-yl)butyric acid Formula: C9H14N2O2 MolecularWeight: 182.21966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(C)CC(=O)O)C

Isomeric SMILES

CC1=CC(=NN1C(C)CC(=O)O)C

InChI

InChI=1S/C9H14N2O2/c1-6-4-7(2)11(10-6)8(3)5-9(12)13/h4,8H,5H2,1-3H3,(H,12,13)