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 | C16H14N2O2 |
| Molecular Weight | 266.30 g/mol |
| Exact Mass | 266.1055 Da |
| InChI |
InChI=1S/C16H14N2O2/c1-20-12-8-6-11(7-9-12)14-10-17-18-16(14)13-4-2-3-5-15(13)19/h2-10,19H,1H3,(H,17,18)
|
| InChIKey |
LNVGVGKZZCCLSQ-UHFFFAOYSA-N
|
| SMILES |
COC1=CC=C(C=C1)C2=CNN=C2C3=C(C=CC=C3)O
|
| Number of Atoms | 34 |
| Number of H-Bond Acceptors | 4 |
| Number of H-Bond Donors | 2 |
| Atoms in the Largest π-System | 19 |
| XLogP | 2.3 |
