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 | C26H24N2O2 |
| Molecular Weight | 396.48 g/mol |
| Exact Mass | 396.1838 Da |
| InChI |
InChI=1S/C26H24N2O2/c1-3-30-26(22-17-11-6-12-18-22)24-25(29)23(21-15-9-5-10-16-21)27-28(24)19(2)20-13-7-4-8-14-20/h4-18,26,29H,2-3H2,1H3
|
| InChIKey |
CWZVFLMCKYRMNK-UHFFFAOYSA-N
|
| SMILES |
CCOC(C1=CC=CC=C1)C2=C(C(=NN2C(=C)C3=CC=CC=C3)C4=CC=CC=C4)O
|
| Number of Atoms | 54 |
| Number of H-Bond Acceptors | 4 |
| Number of H-Bond Donors | 1 |
| Atoms in the Largest π-System | 20 |
| XLogP | 4.6 |
