[4-({4-[(3-Cyclopropyl-1H-Pyrazol-5-Yl)Amino]-2-Quinazolinyl}Amino)Phenyl]Acetonitrile

Molecule SVG Image

Properties Simple | Detailed

Formula C22H19N7
IUPAC Name 2-[4-[[4-[(5-cyclopropyl-4h-pyrazol-1-ium-4-id-3-yl)amino]quinazolin-2-yl]amino]phenyl]acetonitrile
Molecular Mass 381.433 g·mol−1
Heat of Formation 733.9 ± 16.7 kJ·mol−1
Dipole Moment 7.28 ± 1.08 D
Volume 456.08 Å 3
Surface Area 414.46 Å 2
HOMO Energy -8.43 ± 0.55 eV
LUMO Energy 1.18 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[4-[[4-[(5-cyclopropyl-1h-pyrazol-3-yl)amino]-2-quinazolinyl]amino]phenyl]acetonitrile
  • 2-[4-[[4-[(5-cyclopropyl-1h-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]acetonitrile
  • 2-[4-[[4-[(5-cyclopropyl-1h-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]ethanenitrile
  • gvd
InChIKey NVMCVWOODOWOLT-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N