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 | C24H22N2O4S2 |
| Molecular Weight | 466.58 g/mol |
| Exact Mass | 466.1021 Da |
| InChI |
InChI=1S/C24H22N2O4S2/c1-17-9-13-21(14-10-17)31(27,28)24-19(3)25-26(23(24)20-7-5-4-6-8-20)32(29,30)22-15-11-18(2)12-16-22/h4-16H,1-3H3
|
| InChIKey |
UVPBLUQLRLQLOV-UHFFFAOYSA-N
|
| SMILES |
CC1=CC=C(C=C1)S(=O)(=O)C2=C(C3=CC=CC=C3)N(N=C2C)S(=O)(=O)C4=CC=C(C)C=C4
|
| Number of Atoms | 54 |
| Number of H-Bond Acceptors | 6 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 29 |
| XLogP | 2.8 |
