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 | C10H8F2N2S |
| Molecular Weight | 226.25 g/mol |
| Exact Mass | 226.0376 Da |
| InChI |
InChI=1S/C10H8F2N2S/c11-10(12)15-9-8(6-13-14-9)7-4-2-1-3-5-7/h1-6,10H,(H,13,14)
|
| InChIKey |
PVISTAOCLUXPEJ-UHFFFAOYSA-N
|
| SMILES |
C1=CC=C(C=C1)C2=CNN=C2SC(F)F
|
| Number of Atoms | 23 |
| Number of H-Bond Acceptors | 2 |
| Number of H-Bond Donors | 1 |
| Atoms in the Largest π-System | 11 |
| XLogP | 3.6 |