1-(3-Chlorophenyl)-5-Methoxy-1H-Pyrazole-3-Carboxamide

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Properties Simple | Detailed

Formula C11H10ClN3O2
IUPAC Name 1-(3-chlorophenyl)-5-methoxy-pyrazol-1-ium-2-ide-3-carboxamide
Molecular Mass 251.669 g·mol−1
Heat of Formation -43.8 ± 16.7 kJ·mol−1
Dipole Moment 2.89 ± 1.08 D
Volume 273.72 Å 3
Surface Area 263.64 Å 2
HOMO Energy -9.47 ± 0.55 eV
LUMO Energy -0.93 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(3-chlorophenyl)-5-methoxy-3-pyrazolecarboxamide
  • 1-(3-chlorophenyl)-5-methoxy-pyrazole-3-carboxamide
  • 1-(3-chlorophenyl)-5-methoxypyrazole-3-carboxamide
  • 1h-pyrazole-3-carboxamide, 1-(3-chlorophenyl)-5-methoxy-
  • 3-carbamoyl-1-(3-chlorophenyl)-5-methoxypyrazole
  • pz-246
CAS Number(s)
  • 54708-52-0
InChIKey YBOMUEOEXMFVBB-UHFFFAOYSA-N
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Elements H C N O Cl