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 | C9H13F3N2OSi |
| Molecular Weight | 250.29 g/mol |
| Exact Mass | 250.0749 Da |
| InChI |
InChI=1S/C9H13F3N2OSi/c1-5(15)6-7(9(10,11)12)13-14-8(6)16(2,3)4/h1-4H3,(H,13,14)
|
| InChIKey |
HKFYPFZVONFCQO-UHFFFAOYSA-N
|
| SMILES |
CC(=O)C1=C(NN=C1C(F)(F)F)[Si](C)(C)C
|
| Number of Atoms | 29 |
| Number of H-Bond Acceptors | 3 |
| Number of H-Bond Donors | 1 |
| Atoms in the Largest π-System | 7 |
| XLogP | 3.4 |