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 | C10H9ClN2S |
| Molecular Weight | 224.71 g/mol |
| Exact Mass | 224.0175 Da |
| InChI |
InChI=1S/C10H9ClN2S/c1-14-10-6-9(12-13-10)7-4-2-3-5-8(7)11/h2-6H,1H3,(H,12,13)
|
| InChIKey |
ZUJCPKQCQMVNPG-UHFFFAOYSA-N
|
| SMILES |
CSC1=NNC(=C1)C2=C(C=CC=C2)Cl
|
| Number of Atoms | 23 |
| Number of H-Bond Acceptors | 2 |
| Number of H-Bond Donors | 1 |
| Atoms in the Largest π-System | 11 |
| XLogP | 2.9 |