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 | C20H19N5 |
| Molecular Weight | 329.40 g/mol |
| Exact Mass | 329.1640 Da |
| InChI |
InChI=1S/C20H19N5/c1-24-20(14-18(22-24)17-10-6-3-7-11-17)19-15-25(23-21-19)13-12-16-8-4-2-5-9-16/h2-11,14-15H,12-13H2,1H3
|
| InChIKey |
HLRFMXPEZZYBRW-UHFFFAOYSA-N
|
| SMILES |
CN1C(=CC(=N1)C2=CC=CC=C2)C3=CN(CCC4=CC=CC=C4)N=N3
|
| Number of Atoms | 44 |
| Number of H-Bond Acceptors | 5 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 16 |
| XLogP | 3.3 |
