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 | C24H26N2O2 |
| Molecular Weight | 374.48 g/mol |
| Exact Mass | 374.1994 Da |
| InChI |
InChI=1S/C24H26N2O2/c1-18-22(24(27)28-17-19-11-5-2-6-12-19)23(20-13-7-3-8-14-20)25-26(18)21-15-9-4-10-16-21/h2-3,5-8,11-14,21H,4,9-10,15-17H2,1H3
|
| InChIKey |
MASHEHORLWDAOB-UHFFFAOYSA-N
|
| SMILES |
CC1=C(C(=NN1C2CCCCC2)C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4
|
| Number of Atoms | 54 |
| Number of H-Bond Acceptors | 4 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 14 |
| XLogP | 4.8 |
