[4-({4-[(3-Cyclopentyl-1H-Pyrazol-5-Yl)Amino]-2-Pyrimidinyl}Amino)Phenyl]Acetonitrile
Properties
Property | Value |
---|---|
Formula | C20H21N7 |
IUPAC Name | 2-[4-[[4-[(5-cyclopentyl-4h-pyrazol-2-ium-4-id-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetonitrile |
Molecular Mass | 359.428 g·mol−1 |
Heat of Formation | 526.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.08 ± 1.08 D |
Volume | 441.27 Å 3 |
Surface Area | 394.4 Å 2 |
HOMO Energy | -8.78 ± 0.55 eV |
LUMO Energy | 1.33 ± eV |
Point Group Symmetry | C1 |
InChIKey | VKAOLAKWGBXOCQ-UHFFFAOYSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C N |