(2S)-N-(5-Cyclopropyl-1H-Pyrazol-3-Yl)-2-[4-(2-Oxo-1-Pyrrolidinyl)Phenyl]Propanamide

Molecule SVG Image

Properties Simple | Detailed

Formula C19H22N4O2
IUPAC Name (2s)-n-(5-cyclopropylpyrazol-1-ium-2-id-3-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
Molecular Mass 338.404 g·mol−1
Heat of Formation -40.4 ± 16.7 kJ·mol−1
Dipole Moment 5.28 ± 1.08 D
Volume 409.42 Å 3
Surface Area 371.83 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy 0.03 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-n-(5-cyclopropyl-1h-pyrazol-3-yl)-2-[4-(2-ketopyrrolidin-1-yl)phenyl]propionamide
  • (2s)-n-(5-cyclopropyl-1h-pyrazol-3-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
  • pha-533533
InChIKey UAOIPNOTWOYAMU-LBPRGKRZSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N