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 | C16H14N2O |
| Molecular Weight | 250.30 g/mol |
| Exact Mass | 250.1106 Da |
| InChI |
InChI=1S/C16H14N2O/c1-19-15-9-7-13(8-10-15)16-11-12-18(17-16)14-5-3-2-4-6-14/h2-12H,1H3
|
| InChIKey |
ARUQOLIYTLDNCL-UHFFFAOYSA-N
|
| SMILES |
COC1=CC=C(C=C1)C2=NN(C=C2)C3=CC=CC=C3
|
| Number of Atoms | 33 |
| Number of H-Bond Acceptors | 3 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 18 |
| XLogP | 2.3 |