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

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Properties Simple | Detailed

Formula C12H12ClN3O3
IUPAC Name 1-(3-chloro-4-hydroxy-phenyl)-5-methoxy-n-methyl-pyrazol-1-ium-2-ide-3-carboxamide
Molecular Mass 281.695 g·mol−1
Heat of Formation -217.9 ± 16.7 kJ·mol−1
Dipole Moment 4.57 ± 1.08 D
Volume 307.74 Å 3
Surface Area 292.51 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy -1.07 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(3-chloro-4-hydroxy-phenyl)-5-methoxy-n-methyl-pyrazole-3-carboxamide
  • 1-(3-chloro-4-hydroxyphenyl)-5-methoxy-3-(n-methylcarbamoyl)pyrazole
  • 1-(3-chloro-4-hydroxyphenyl)-5-methoxy-n-methyl-3-pyrazolecarboxamide
  • 1h-pyrazole-3-carboxamide, 1-(3-chloro-4-hydroxyphenyl)-5-methoxy-n-methyl-
  • 3-c-4-hp-5-mmcp
CAS Number(s)
  • 77935-71-8
InChIKey KSRUYJGTCDYUBS-UHFFFAOYSA-N
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