3-Brom-N-[4-Chlor-2-Methyl-6-(Methylcarbamoyl)Phenyl]-1-(3-Chlorpyridin-2-Yl)-1H-Pyrazol-5-Carboxamid

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Formula C18H14BrCl2N5O2
IUPAC Name 5-bromo-n-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-2-(3-chloro-2-pyridyl)pyrazol-2-ium-1-ide-3-carboxamide
Molecular Mass 483.146 g·mol−1
Heat of Formation 51.7 ± 16.7 kJ·mol−1
Dipole Moment 4.49 ± 1.08 D
Volume 472.75 Å 3
Surface Area 390.16 Å 2
HOMO Energy -9.61 ± 0.55 eV
LUMO Energy -1.52 ± eV
Point Group Symmetry C1
Synonyms
  • 5-bromo-n-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-2-(3-chloro-2-pyridyl)-3-pyrazolecarboxamide
  • 5-bromo-n-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-2-(3-chloro-2-pyridyl)pyrazole-3-carboxamide
InChIKey PSOVNZZNOMJUBI-UHFFFAOYSA-N
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Elements C Cl H O N Br