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 | C26H26N2 |
| Molecular Weight | 366.50 g/mol |
| Exact Mass | 366.2096 Da |
| InChI |
InChI=1S/C26H26N2/c1-19-10-12-20(13-11-19)21-14-16-23(17-15-21)28-24(22-8-6-5-7-9-22)18-25(27-28)26(2,3)4/h5-18H,1-4H3
|
| InChIKey |
XWKMUGVFGBBBTB-UHFFFAOYSA-N
|
| SMILES |
CC1=CC=C(C=C1)C2=CC=C(C=C2)N3C(=CC(=N3)C(C)(C)C)C4=CC=CC=C4
|
| Number of Atoms | 54 |
| Number of H-Bond Acceptors | 2 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 23 |
| XLogP | 5.9 |
