(1R,2R)-5,5-Dichloro-N-(1-Cyanocyclopropyl)-2-{4-[4-(Methylsulfonyl)Phenyl]-1-(2,2,2-Trifluoroethyl)-1H-Pyrazol-3-Yl}Cyclohexanecarboxamide

Molecule SVG Image

Properties Simple | Detailed

Formula C23H23Cl2F3N4O3S
IUPAC Name (1r,2r)-5,5-dichloro-n-(1-cyanocyclopropyl)-2-[4-(4-methylsulfonylphenyl)-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]cyclohexanecarboxamide
Molecular Mass 563.420 g·mol−1
Heat of Formation -883.9 ± 16.7 kJ·mol−1
Dipole Moment 6.18 ± 1.08 D
Volume 607.71 Å 3
Surface Area 453.27 Å 2
HOMO Energy -9.66 ± 0.55 eV
LUMO Energy -0.81 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2r)-5,5-dichloro-n-(1-cyanocyclopropyl)-2-[4-(4-mesylphenyl)-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]cyclohexane-1-carboxamide
  • (1r,2r)-5,5-dichloro-n-(1-cyanocyclopropyl)-2-[4-(4-methylsulfonylphenyl)-1-(2,2,2-trifluoroethyl)-3-pyrazolyl]-1-cyclohexanecarboxamide
  • (1r,2r)-5,5-dichloro-n-(1-cyanocyclopropyl)-2-[4-(4-methylsulfonylphenyl)-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]cyclohexane-1-carboxamide
InChIKey DSHIORGRZXPVSN-IAGOWNOFSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C F H Cl O N S