1-(3-Chloro-4-Hydroxyphenyl)-5-Methoxy-1H-Pyrazole-3-Carboxamide

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Properties Simple | Detailed

Formula C11H10ClN3O3
IUPAC Name 1-(3-chloro-4-hydroxy-phenyl)-5-methoxy-pyrazol-1-ium-2-ide-3-carboxamide
Molecular Mass 267.668 g·mol−1
Heat of Formation -218.6 ± 16.7 kJ·mol−1
Dipole Moment 5.23 ± 1.08 D
Volume 286.32 Å 3
Surface Area 272.61 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy -1.15 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(3-chloro-4-hydroxy-phenyl)-5-methoxy-pyrazole-3-carboxamide
  • 1-(3-chloro-4-hydroxyphenyl)-5-methoxy-3-pyrazolecarboxamide
  • 1h-pyrazole-3-carboxamide, 1-(3-chloro-4-hydroxyphenyl)-5-methoxy-
  • 3-carbamoyl-1-(3-chloro-4-hydroxyphenyl)-5-methoxypyrazole
  • 3-cb-chp-5-mp
CAS Number(s)
  • 77935-72-9
InChIKey IAGPLHFYMJKFTJ-UHFFFAOYSA-N
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