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 | C19H18F3N3 |
| Molecular Weight | 345.36 g/mol |
| Exact Mass | 345.1453 Da |
| InChI |
InChI=1S/C19H18F3N3/c1-24(2)16-10-6-14(7-11-16)18-12-17(23-25(18)3)13-4-8-15(9-5-13)19(20,21)22/h4-12H,1-3H3
|
| InChIKey |
MXEINKVBPDJFSJ-UHFFFAOYSA-N
|
| SMILES |
CN(C)C1=CC=C(C=C1)C2=CC(=NN2C)C3=CC=C(C=C3)C(F)(F)F
|
| Number of Atoms | 43 |
| Number of H-Bond Acceptors | 3 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 18 |
| XLogP | 3.2 |
