1-[3-(Trifluoromethyl)Phenyl]-4,5-Dihydro-1H-Pyrazol-3-Amine

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Properties Simple | Detailed

Formula C10H10F3N3
IUPAC Name 2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-amine
Molecular Mass 229.202 g·mol−1
Heat of Formation -412.1 ± 16.7 kJ·mol−1
Dipole Moment 6.20 ± 1.08 D
Volume 245.3 Å 3
Surface Area 236.85 Å 2
HOMO Energy -8.47 ± 0.55 eV
LUMO Energy -0.41 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[3-(trifluoromethyl)phenyl]-4,5-dihydropyrazol-3-amine
  • 1h-pyrazol-3-amine, 4,5-dihydro-1-(3-(trifluoromethyl)phenyl)-
  • 4,5-dihydro-1-(3-(trifluoromethyl)phenyl)-1h-pyrazol-3-amine
  • [1-[3-(trifluoromethyl)phenyl]-4,5-dihydropyrazol-3-yl]amine
  • bw-755c
  • bw755c
CAS Number(s)
  • 66000-40-6
InChIKey CPXGGWXJNQSFEP-UHFFFAOYSA-N
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Elements H C N F