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 | C18H17ClN2 |
| Molecular Weight | 296.79 g/mol |
| Exact Mass | 296.1080 Da |
| InChI |
InChI=1S/C18H17ClN2/c1-2-9-16-17(19)18(14-10-5-3-6-11-14)20-21(16)15-12-7-4-8-13-15/h3-8,10-13H,2,9H2,1H3
|
| InChIKey |
ZVCYZUPDOMCAQH-UHFFFAOYSA-N
|
| SMILES |
CCCC1=C(C(=NN1C2=CC=CC=C2)C3=CC=CC=C3)Cl
|
| Number of Atoms | 38 |
| Number of H-Bond Acceptors | 2 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 17 |
| XLogP | 4.3 |
