4-[(2,6-Difluorobenzoyl)Amino]-N-(4-Piperidinyl)-1H-Pyrazole-3-Carboxamide

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Properties Simple | Detailed

Formula C16H17F2N5O2
IUPAC Name 4-[(2,6-difluorobenzoyl)amino]-n-(4-piperidyl)pyrazol-1-ium-2-ide-3-carboxamide
Molecular Mass 349.335 g·mol−1
Heat of Formation -452.1 ± 16.7 kJ·mol−1
Dipole Moment 2.10 ± 1.08 D
Volume 384.71 Å 3
Surface Area 350.39 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy 2.13 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[(2,6-difluorobenzoyl)amino]-n-(4-piperidyl)-2h-pyrazole-3-carboxamide
  • 4-[(2,6-difluorobenzoyl)amino]-n-piperidin-4-yl-2h-pyrazole-3-carboxamide
  • 4-[(2,6-difluorophenyl)carbonylamino]-n-piperidin-4-yl-2h-pyrazole-3-carboxamide
  • 4-[[(2,6-difluorophenyl)-oxomethyl]amino]-n-(4-piperidinyl)-2h-pyrazole-3-carboxamide
InChIKey CXBHMSHVCKEEGW-UHFFFAOYSA-N
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