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 | C15H11F7N2O2 |
| Molecular Weight | 384.25 g/mol |
| Exact Mass | 384.0709 Da |
| InChI |
InChI=1S/C15H11F7N2O2/c1-2-26-13(25)9-10(12(16)17)23-24(8-6-4-3-5-7-8)11(9)14(18,19)15(20,21)22/h3-7,12H,2H2,1H3
|
| InChIKey |
JHAMKRBQSIOFQP-UHFFFAOYSA-N
|
| SMILES |
CCOC(=O)C1=C(C(C(F)(F)F)(F)F)N(C2=CC=CC=C2)N=C1C(F)F
|
| Number of Atoms | 37 |
| Number of H-Bond Acceptors | 4 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 14 |
| XLogP | 4.1 |
