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 | C7H7F3N2O2 |
| Molecular Weight | 208.14 g/mol |
| Exact Mass | 208.0460 Da |
| InChI |
InChI=1S/C7H7F3N2O2/c1-4-2-5(12-11-4)6(13)14-3-7(8,9)10/h2H,3H2,1H3,(H,11,12)
|
| InChIKey |
UIQFDTWGARYKRZ-UHFFFAOYSA-N
|
| SMILES |
CC1=NNC(=C1)C(=O)OCC(F)(F)F
|
| Number of Atoms | 21 |
| Number of H-Bond Acceptors | 4 |
| Number of H-Bond Donors | 1 |
| Atoms in the Largest π-System | 8 |
| XLogP | 2.3 |