3-[5-(3,5-Difluorophenyl)-3-{[(3-Fluorocyclopentyl)Amino]Methyl}-4-Methyl-1H-Pyrazol-1-Yl]Propanenitrile
Properties
Property | Value |
---|---|
Formula | C19H21F3N4 |
IUPAC Name | 3-[5-(3,5-difluorophenyl)-3-[[(3-fluorocyclopentyl)amino]methyl]-4-methyl-pyrazol-1-yl]propanenitrile |
Molecular Mass | 362.392 g·mol−1 |
Heat of Formation | -269.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.22 ± 1.08 D |
Volume | 432.84 Å 3 |
Surface Area | 382.04 Å 2 |
HOMO Energy | -9.31 ± 0.55 eV |
LUMO Energy | -0.99 ± eV |
Point Group Symmetry | C1 |
InChIKey | LJTOZIFFXNLWEQ-RHSMWYFYSA-N |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
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Elements | H C N F |