1-(2-Hydroxyethyl)-3-Nitro-1H-Pyrazole-4-Carboxamide

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Properties Simple | Detailed

Formula C6H8N4O4
IUPAC Name 1-(2-hydroxyethyl)-3-nitro-pyrazole-4-carboxamide
Molecular Mass 200.152 g·mol−1
Heat of Formation -166.6 ± 16.7 kJ·mol−1
Dipole Moment 7.66 ± 1.08 D
Volume 215.3 Å 3
Surface Area 211.36 Å 2
HOMO Energy -10.54 ± 0.55 eV
LUMO Energy -1.11 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(2-hydroxyethyl)-3-nitro-4-pyrazolecarboxamide
  • 1-(2-hydroxyethyl)-3-nitro-pyrazole-4-carboxamide
  • 1-(2-hydroxyethyl)-3-nitropyrazole-4-carboxamide
  • 1h-pyrazole-4-carboxamide, 1-(2-hydroxyethyl)-3-nitro-
  • 4-pyrazolecarboxamide, 1-(2-hydroxyethyl)-3-nitro-
CAS Number(s)
  • 39205-83-9
InChIKey LOIDMDPCSBUPCZ-UHFFFAOYSA-N
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