1-[2-(Aminomethyl)Phenyl]-N-(3-Fluoro-2'-Sulfamoyl-4-Biphenylyl)-3-(Trifluoromethyl)-1H-Pyrazole-5-Carboxamide

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Formula C24H19F4N5O3S
IUPAC Name 2-[2-(aminomethyl)phenyl]-n-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-5-(trifluoromethyl)pyrazol-2-ium-1-ide-3-carboxamide
Molecular Mass 533.498 g·mol−1
Heat of Formation -814.5 ± 16.7 kJ·mol−1
Dipole Moment 7.16 ± 1.08 D
Volume 565.74 Å 3
Surface Area 451.85 Å 2
HOMO Energy -9.48 ± 0.55 eV
LUMO Energy 1.86 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[2-(aminomethyl)phenyl]-n-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-5-(trifluoromethyl)-3-pyrazolecarboxamide
  • 2-[2-(aminomethyl)phenyl]-n-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
InChIKey TYPXEIGMGZWOGB-UHFFFAOYSA-N
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