[5-Amino-1-(4-Fluorophenyl)-1H-Pyrazol-4-Yl]{3-[(2S)-2,3-Dihydroxypropoxy]Phenyl}Methanone

Molecule SVG Image

Properties Simple | Detailed

Formula C19H18FN3O4
IUPAC Name [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-[(2s)-2,3-dihydroxypropoxy]phenyl]methanone
Molecular Mass 371.362 g·mol−1
Heat of Formation -484.4 ± 16.7 kJ·mol−1
Dipole Moment 0.61 ± 1.08 D
Volume 415.33 Å 3
Surface Area 379.4 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy -0.87 ± eV
Point Group Symmetry C1
Synonyms
  • [5-amino-1-(4-fluorophenyl)-1h-pyrazol-4-yl](3-{[(2r)-2,3-dihydroxypropyl]oxy}phenyl)methanone
  • [5-amino-1-(4-fluorophenyl)-1h-pyrazol-4-yl](3-{[(2s)-2,3-dihydroxypropyl]oxy}phenyl)methanone
  • [5-amino-1-(4-fluorophenyl)-4-pyrazolyl]-[3-[(2s)-2,3-dihydroxypropoxy]phenyl]methanone
  • [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-(3-glyceryloxyphenyl)methanone
  • [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-[(2s)-2,3-dihydroxypropoxy]phenyl]methanone
  • pqb
  • ro 320-1195
  • ro-320-1195
InChIKey IJDQETGUEUJVTB-HNNXBMFYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O F