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 | C21H22FN3 |
| Molecular Weight | 335.42 g/mol |
| Exact Mass | 335.1798 Da |
| InChI |
InChI=1S/C21H22FN3/c1-15-9-11-16(12-10-15)14-23-21-19-7-2-3-8-20(19)24-25(21)18-6-4-5-17(22)13-18/h4-6,9-13,23H,2-3,7-8,14H2,1H3
|
| InChIKey |
XBWLAQHFJOBTOQ-UHFFFAOYSA-N
|
| SMILES |
CC1=CC=C(C=C1)CNC2=C3CCCCC3=NN2C4=CC(=CC=C4)F
|
| Number of Atoms | 47 |
| Number of H-Bond Acceptors | 3 |
| Number of H-Bond Donors | 1 |
| Atoms in the Largest π-System | 12 |
| XLogP | 3.8 |
