(2S)-2-(3,5-dimethylpyrazol-1-yl)butanoic acid

Systemtic Name: (2S)-2-(3,5-dimethylpyrazol-1-yl)butanoic acid Openeye Name: (2S)-2-(3,5-dimethylpyrazol-1-yl)butanoic acid CAS Name: (2S)-2-(3,5-dimethyl-1-pyrazolyl)butanoic acid IUPAC Name: (2S)-2-(3,5-dimethylpyrazol-1-yl)butanoic acid Traditional Name: (2S)-2-(3,5-dimethylpyrazol-1-yl)butyric acid Formula: C9H14N2O2 MolecularWeight: 182.21966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)N1C(=CC(=N1)C)C

Isomeric SMILES

CC[C@@H](C(=O)O)N1C(=CC(=N1)C)C

InChI

InChI=1S/C9H14N2O2/c1-4-8(9(12)13)11-7(3)5-6(2)10-11/h5,8H,4H2,1-3H3,(H,12,13)/t8-/m0/s1