5-{3-[N''-(2,2,2-Trifluoroethyl)Carbamimidamido]-1H-Pyrazol-1-Yl}Pentanamide

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Properties Simple | Detailed

Formula C11H17F3N6O
IUPAC Name 5-[3-[[(e)-n'-(2,2,2-trifluoroethyl)carbamimidoyl]amino]pyrazol-1-ium-2-id-1-yl]pentanamide
Molecular Mass 306.287 g·mol−1
Heat of Formation -666.6 ± 16.7 kJ·mol−1
Dipole Moment 8.78 ± 1.08 D
Volume 345.48 Å 3
Surface Area 293.49 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy 0.40 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-pyrazole-1-pentanamide, 3-((imino((2,2,2-trifluoroethyl)amino)methyl)amino)-
  • 3-((imino((2,2,2-trifluoroethyl)amino)methyl)amino)-1h-pyrazole-1-pentanamide
  • 3-((imino((2,2,2-trifluoroethyl)amino)methyl)amino)1h-pyrazole-1-pentamide
  • 5-[3-({imino[(2,2,2-trifluoroethyl)amino]methyl}amino)-1h-pyrazol-1-yl]pentanamide
  • 5-[3-[(n'-(2,2,2-trifluoroethyl)carbamimidoyl)amino]pyrazol-1-yl]pentanamide
  • 5-[3-[(n'-(2,2,2-trifluoroethyl)carbamimidoyl)amino]pyrazol-1-yl]valeramide
  • 5-[3-[[amino-(2,2,2-trifluoroethylimino)methyl]amino]-1-pyrazolyl]pentanamide
  • tocris-0833
CAS Number(s)
  • 84545-30-2
InChIKey ALCSGJCIESECFD-UHFFFAOYSA-N
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