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 | C7H5N |
| Molecular Weight | 103.12 g/mol |
| Exact Mass | 103.0422 Da |
| InChI |
InChI=1S/C7H5N/c1-2-7-4-3-5-8-6-7/h1,3-6H
|
| InChIKey |
CLRPXACRDTXENY-UHFFFAOYSA-N
|
| SMILES |
C#CC1=CC=CN=C1
|
| Number of Atoms | 13 |
| Number of H-Bond Acceptors | 1 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 8 |
| XLogP | 0.4 |