Pyriprole

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Properties Simple | Detailed

Formula C18H10Cl2F5N5S
IUPAC Name 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(difluoromethylsulfanyl)-5-(2-pyridylmethylamino)pyrazole-3-carbonitrile
Molecular Mass 494.269 g·mol−1
Heat of Formation -534.7 ± 16.7 kJ·mol−1
Dipole Moment 6.69 ± 1.08 D
Volume 492.28 Å 3
Surface Area 377.18 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy 1.03 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(difluoromethylsulfanyl)-5-(2-pyridylmethylamino)pyrazole-3-carbonitrile
  • 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(difluoromethylsulfanyl)-5-(pyridin-2-ylmethylamino)pyrazole-3-carbonitrile
  • 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(difluoromethylthio)-5-(2-pyridylmethylamino)-3-pyrazolecarbonitrile
  • 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(difluoromethylthio)-5-(2-pyridylmethylamino)pyrazole-3-carbonitrile
InChIKey MWMQNVGAHVXSPE-UHFFFAOYSA-N
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Elements C F H Cl N S