Multicomponent syntheses of pyrazoles via (3 + 2)-cyclocondensation and (3 + 2)-cycloaddition key steps
Ignaz Betcke, Alissa C. Götzinger, Maryna M. Kornet and Thomas J. J. Müller
Beilstein J. Org. Chem. 2024, 20, 2024–2077.
https://doi.org/10.3762/bjoc.20.178
Chemical Information
Calculated using the Chemistry Development Kit 2.12
| Molecular Formula | C6HF9N2 |
| Molecular Weight | 272.07 g/mol |
| Exact Mass | 271.9996 Da |
| InChI |
InChI=1S/C6HF9N2/c7-4(8,9)1-2(5(10,11)12)16-17-3(1)6(13,14)15/h(H,16,17)
|
| InChIKey |
FTPCKDUEVYSIIY-UHFFFAOYSA-N
|
| SMILES |
C1(=C(C(F)(F)F)NN=C1C(F)(F)F)C(F)(F)F
|
| Number of Atoms | 18 |
| Number of H-Bond Acceptors | 2 |
| Number of H-Bond Donors | 1 |
| Atoms in the Largest π-System | 5 |
| XLogP | 3.5 |