(5-Amino-1,3-Dimethyl-1H-Pyrazol-4-Yl)(2-Fluorophenyl)Methanone

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Properties Simple | Detailed

Formula C12H12FN3O
IUPAC Name (5-amino-1,3-dimethyl-pyrazol-1-ium-2-id-4-yl)-(2-fluorophenyl)methanone
Molecular Mass 233.242 g·mol−1
Heat of Formation -98.3 ± 16.7 kJ·mol−1
Dipole Moment 2.10 ± 1.08 D
Volume 270.73 Å 3
Surface Area 246.4 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy 2.75 ± eV
Point Group Symmetry C1
Synonyms
  • (5-amino-1,3-dimethyl-4-pyrazolyl)-(2-fluorophenyl)methanone
  • (5-amino-1,3-dimethyl-pyrazol-4-yl)-(2-fluorophenyl)methanone
  • (5-amino-1,3-dimethylpyrazol-4-yl)-(2-fluorophenyl)methanone
  • 5-amino-1,3-dimethyl-4-pyrazolyl o-fluorophenyl ketone
  • ketone, 5-amino-1,3-dimethyl-4-pyrazolyl o-fluorophenyl
  • ketone, 5-amino-1,3-dimethylpyrazol-4-yl o-fluorophenyl
  • methanone, (5-amino-1,3-dimethyl-1h-pyrazol-4-yl)(2-fluorophenyl)-
  • pd 71627
CAS Number(s)
  • 31272-21-6
InChIKey LMBRFPRUZRLJAW-UHFFFAOYSA-N
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