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 | C19H17N5 |
| Molecular Weight | 315.37 g/mol |
| Exact Mass | 315.1484 Da |
| InChI |
InChI=1S/C19H17N5/c1-23-19(12-17(21-23)16-10-6-3-7-11-16)18-14-24(22-20-18)13-15-8-4-2-5-9-15/h2-12,14H,13H2,1H3
|
| InChIKey |
KHPSUGSFHGDYDA-UHFFFAOYSA-N
|
| SMILES |
CN1C(=CC(=N1)C2=CC=CC=C2)C3=CN(CC4=CC=CC=C4)N=N3
|
| Number of Atoms | 41 |
| Number of H-Bond Acceptors | 5 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 16 |
| XLogP | 2.7 |
