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 | C9H2ClF5N2 |
| Molecular Weight | 268.57 g/mol |
| Exact Mass | 267.9827 Da |
| InChI |
InChI=1S/C9H2ClF5N2/c10-3-1-16-17(2-3)9-7(14)5(12)4(11)6(13)8(9)15/h1-2H
|
| InChIKey |
QAXDQKVZLWRIGO-UHFFFAOYSA-N
|
| SMILES |
C1=NN(C=C1Cl)C2=C(C(=C(C(=C2F)F)F)F)F
|
| Number of Atoms | 19 |
| Number of H-Bond Acceptors | 2 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 11 |
| XLogP | 2.4 |