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 | C11H13NO |
| Molecular Weight | 175.23 g/mol |
| Exact Mass | 175.0997 Da |
| InChI |
InChI=1S/C11H13NO/c1-12(2)9-8-11(13)10-6-4-3-5-7-10/h3-9H,1-2H3/b9-8+
|
| InChIKey |
HUTKDPINCSJXAA-CMDGGOBGSA-N
|
| SMILES |
CN(C)/C=C/C(=O)C1=CC=CC=C1
|
| Number of Atoms | 26 |
| Number of H-Bond Acceptors | 2 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 11 |
| XLogP | 1.8 |