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 | C21H14Cl2N2 |
| Molecular Weight | 365.26 g/mol |
| Exact Mass | 364.0534 Da |
| InChI |
InChI=1S/C21H14Cl2N2/c22-17-10-6-15(7-11-17)20-14-21(16-8-12-18(23)13-9-16)25(24-20)19-4-2-1-3-5-19/h1-14H
|
| InChIKey |
CFUKVDGORIYESD-UHFFFAOYSA-N
|
| SMILES |
C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl
|
| Number of Atoms | 39 |
| Number of H-Bond Acceptors | 2 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 23 |
| XLogP | 3.9 |