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 | C22H17ClN2 |
| Molecular Weight | 344.84 g/mol |
| Exact Mass | 344.1080 Da |
| InChI |
InChI=1S/C22H17ClN2/c23-19-11-13-21(14-12-19)25-22(18-9-5-2-6-10-18)16-20(24-25)15-17-7-3-1-4-8-17/h1-14,16H,15H2
|
| InChIKey |
NFBVGAAKIBFOCH-UHFFFAOYSA-N
|
| SMILES |
C1=CC=C(C=C1)CC2=NN(C3=CC=C(C=C3)Cl)C(=C2)C4=CC=CC=C4
|
| Number of Atoms | 42 |
| Number of H-Bond Acceptors | 2 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 17 |
| XLogP | 4.7 |
