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 | C6H8N2 |
| Molecular Weight | 108.14 g/mol |
| Exact Mass | 108.0687 Da |
| InChI |
InChI=1S/C6H8N2/c7-8-6-4-2-1-3-5-6/h1-5,8H,7H2
|
| InChIKey |
HKOOXMFOFWEVGF-UHFFFAOYSA-N
|
| SMILES |
C1=CC=C(C=C1)NN
|
| Number of Atoms | 16 |
| Number of H-Bond Acceptors | 2 |
| Number of H-Bond Donors | 2 |
| Atoms in the Largest π-System | 8 |
| XLogP | 0.1 |