N-{2-[(1S,2R)-1,1'-Bi(Cyclopropyl)-2-Yl]Phenyl}-3-(Difluoromethyl)-1-Methyl-1H-Pyrazole-4-Carboxamide

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Formula C18H19F2N3O
IUPAC Name n-[2-[(1r,2s)-2-cyclopropylcyclopropyl]phenyl]-3-(difluoromethyl)-1-methyl-pyrazol-1-ium-2-ide-4-carboxamide
Molecular Mass 331.360 g·mol−1
Heat of Formation -157.4 ± 16.7 kJ·mol−1
Dipole Moment 7.22 ± 1.08 D
Volume 393.27 Å 3
Surface Area 325.89 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy 2.86 ± eV
Point Group Symmetry C1
Synonyms
  • n-[2-[(1r,2s)-2-cyclopropylcyclopropyl]phenyl]-3-(difluoromethyl)-1-methyl-4-pyrazolecarboxamide
  • n-[2-[(1r,2s)-2-cyclopropylcyclopropyl]phenyl]-3-(difluoromethyl)-1-methyl-pyrazole-4-carboxamide
  • n-[2-[(1r,2s)-2-cyclopropylcyclopropyl]phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
InChIKey XQJQCBDIXRIYRP-STQMWFEESA-N
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