Molecule ID: 25203312

IUPAC Name: (2S)-2-azaniumyl-3-pyrazol-1-ylpropanoate

Description: The molecule is zwitterionic form of 3-(pyrazol-1-yl)-L-alanine having an anionic carboxy group and a protonated alpha-amino group; major species at pH 7.3. It is a tautomer of a 3-(pyrazol-1-yl)-L-alanine.

SMILES: N[C@@H](Cn1cccn1)C(=O)O

SELFIES: [N][C@@H1][Branch1][=Branch2][C][N][C][=C][C][=N][Ring1][Branch1][C][=Branch1][C][=O][O]

InChI: InChI=1S/C6H9N3O2/c7-5(6(10)11)4-9-3-1-2-8-9/h1-3,5H,4,7H2,(H,10,11)/t5-/m0/s1

Molecular Properties:
- Polar Surface Area: 85.6 Ų
- LogP: -2.8