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 | C14H15ClN2O |
| Molecular Weight | 262.74 g/mol |
| Exact Mass | 262.0873 Da |
| InChI |
InChI=1S/C14H15ClN2O/c1-3-13-12(14(18)4-2)9-16-17(13)11-7-5-10(15)6-8-11/h5-9H,3-4H2,1-2H3
|
| InChIKey |
GVTIMJRADVZISZ-UHFFFAOYSA-N
|
| SMILES |
CCC1=C(C=NN1C2=CC=C(C=C2)Cl)C(=O)CC
|
| Number of Atoms | 33 |
| Number of H-Bond Acceptors | 3 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 13 |
| XLogP | 2.4 |