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 | [C3H6N2O3P]- |
| Molecular Weight | 149.07 g/mol |
| Exact Mass | 149.0116 Da |
| InChI |
InChI=1S/C3H6N2O3P/c1-7-9(6,8-2)3-5-4/h1-2H3/q-1
|
| InChIKey |
NKXMIKPBPRVCCX-UHFFFAOYSA-N
|
| SMILES |
COP(=O)([C-]=[N+]=[N-])OC
|
| Number of Atoms | 15 |
| Number of H-Bond Acceptors | 4 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 7 |
| XLogP | 1.3 |