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 | C6H7N3 |
| Molecular Weight | 121.14 g/mol |
| Exact Mass | 121.0640 Da |
| InChI |
InChI=1S/C6H7N3/c1-5-6(3-7)4-9(2)8-5/h4H,1-2H3
|
| InChIKey |
XOFOOXWGRXHZKD-UHFFFAOYSA-N
|
| SMILES |
CC1=NN(C)C=C1C#N
|
| Number of Atoms | 16 |
| Number of H-Bond Acceptors | 3 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 7 |
| XLogP | 0.4 |