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 | C23H19FN2 |
| Molecular Weight | 342.41 g/mol |
| Exact Mass | 342.1532 Da |
| InChI |
InChI=1S/C23H19FN2/c1-16-7-9-17(10-8-16)18-11-13-19(14-12-18)23-15-22(25-26(23)2)20-5-3-4-6-21(20)24/h3-15H,1-2H3
|
| InChIKey |
NYGWKIVMYLMOEB-UHFFFAOYSA-N
|
| SMILES |
CC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC(=NN3C)C4=C(C=CC=C4)F
|
| Number of Atoms | 45 |
| Number of H-Bond Acceptors | 2 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 23 |
| XLogP | 5.0 |
