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

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Properties Simple | Detailed

Formula C20H17F4N4O3S
IUPAC Name 2-[3-(aminomethyl)phenyl]-n-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
Molecular Mass 469.433 g·mol−1
Heat of Formation 2337.7 ± 16.7 kJ·mol−1
Dipole Moment 15.79 ± 1.08 D
Volume 492.42 Å 3
Surface Area 413.52 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -4.73 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[3-(aminomethyl)phenyl]-n-[2-fluoro-4-(2-mesylphenyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
  • 2-[3-(aminomethyl)phenyl]-n-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-5-(trifluoromethyl)-3-pyrazolecarboxamide
InChIKey ZLUOAFAJSUPHOG-UHFFFAOYSA-N
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