Flupranone

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Properties Simple | Detailed

Formula C20H24FN3O2
IUPAC Name 3-[(1s)-4-(4-fluorophenyl)-3,6-dihydro-2h-pyridin-1-yl]-1-[1-(2-hydroxyethyl)-5-methyl-pyrazol-1-ium-2-id-4-yl]propan-1-one
Molecular Mass 357.422 g·mol−1
Heat of Formation -257.4 ± 16.7 kJ·mol−1
Dipole Moment 4.12 ± 1.08 D
Volume 431.91 Å 3
Surface Area 391.96 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -0.14 ± eV
Point Group Symmetry C1
Synonyms
  • 1-propanone, 3-(4-(4-fluorophenyl)-3,6-dihydro-1(2h)-pyridinyl)-1-(1-(2-hydroxyethyl)-5-methyl-1h-pyrazol-4-yl)-, 2-hydroxy-1,2,3-propanetricarboxylate (salt)
  • 3-(4-(p-fluorophenyl)-1,2,3,6-tetrahydro-1-pyridyl)-1-(1-(2-hydroxyethyl)-5-methyl-4-pyrazolyl)-1-propanone
  • 3-(4-(p-fluorophenyl)-3,6-dihydro-1(2h)-pyridyl)-1-(1-(2-hydroxyethyl)-5-methylpyrazol-4-yl)-1-propanone.
  • 3-[4-(4-fluorophenyl)-3,6-dihydro-2h-pyridin-1-yl]-1-[1-(2-hydroxyethyl)-5-methyl-4-pyrazolyl]propan-1-one
  • 3-[4-(4-fluorophenyl)-3,6-dihydro-2h-pyridin-1-yl]-1-[1-(2-hydroxyethyl)-5-methyl-pyrazol-4-yl]propan-1-one
  • 3-[4-(4-fluorophenyl)-3,6-dihydro-2h-pyridin-1-yl]-1-[1-(2-hydroxyethyl)-5-methylpyrazol-4-yl]propan-1-one
  • ciba 4416/b-go
  • ciba 4416b-go
CAS Number(s)
  • 21686-09-9
  • 21686-10-2
InChIKey MBAQRSKEYXLLNY-UHFFFAOYSA-N
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