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 | C24H18N4 |
| Molecular Weight | 362.43 g/mol |
| Exact Mass | 362.1531 Da |
| InChI |
InChI=1S/C24H18N4/c1-3-7-17(8-4-1)21-15-25-28-24(21)20-13-11-18(12-14-20)22-16-26-27-23(22)19-9-5-2-6-10-19/h1-16H,(H,25,28)(H,26,27)
|
| InChIKey |
FHLROEXYYBBQQX-UHFFFAOYSA-N
|
| SMILES |
C1=CC=C(C=C1)C2=CNN=C2C3=CC=C(C=C3)C4=CNN=C4C5=CC=CC=C5
|
| Number of Atoms | 46 |
| Number of H-Bond Acceptors | 4 |
| Number of H-Bond Donors | 2 |
| Atoms in the Largest π-System | 28 |
| XLogP | 5.2 |
