3-(1H-Pyrazol-1-Yl)-L-Alanine

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Properties Simple | Detailed

Formula C6H9N3O2
IUPAC Name (2s)-2-amino-3-pyrazol-1-ium-2-id-1-yl-propanoic acid
Molecular Mass 155.155 g·mol−1
Heat of Formation -159.6 ± 16.7 kJ·mol−1
Dipole Moment 3.27 ± 1.08 D
Volume 186.79 Å 3
Surface Area 181.37 Å 2
HOMO Energy -9.69 ± 0.55 eV
LUMO Energy 0.37 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-3-(1-pyrazolyl)propanoic acid
  • (2s)-2-amino-3-pyrazol-1-yl-propanoic acid
  • (2s)-2-amino-3-pyrazol-1-yl-propionic acid
  • (2s)-2-amino-3-pyrazol-1-ylpropanoic acid
  • (s)-2-amino-3-(1-pyrazolyl)propionic acid
  • 1h-pyrazole-1-propanoic acid, alpha-amino-
  • 3-(1-pyrazolyl)-l-alanine
  • 3-(pyrazol-1-yl)-l-alanine
  • alpha-amino-1h-pyrazole-1-propanoic acid
  • beta-(pyrazole-1-yl)-ala
  • beta-(pyrazole-1-yl)-l-alanine
  • beta-pyrazol-1-ylalanine
  • pyrazole-1-alanine
CAS Number(s)
  • 10162-27-3
InChIKey PIGOPELHGLPKLL-YFKPBYRVSA-N
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