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 | C23H16N2O2 |
| Molecular Weight | 352.39 g/mol |
| Exact Mass | 352.1212 Da |
| InChI |
InChI=1S/C23H16N2O2/c26-22(17-12-6-2-7-13-17)20-19(16-10-4-1-5-11-16)21(25-24-20)23(27)18-14-8-3-9-15-18/h1-15H,(H,24,25)
|
| InChIKey |
WYFWWUGCGXWHFF-UHFFFAOYSA-N
|
| SMILES |
C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3)NN=C2C(=O)C4=CC=CC=C4
|
| Number of Atoms | 43 |
| Number of H-Bond Acceptors | 4 |
| Number of H-Bond Donors | 1 |
| Atoms in the Largest π-System | 27 |
| XLogP | 4.6 |
