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 | C16H12F2N2 |
| Molecular Weight | 270.28 g/mol |
| Exact Mass | 270.0969 Da |
| InChI |
InChI=1S/C16H12F2N2/c17-13-5-1-11(2-6-13)9-15-10-16(20-19-15)12-3-7-14(18)8-4-12/h1-8,10H,9H2,(H,19,20)
|
| InChIKey |
AUMGQXRMZVMKIL-UHFFFAOYSA-N
|
| SMILES |
C1=C(C=CC(=C1)F)CC2=NNC(=C2)C3=CC=C(C=C3)F
|
| Number of Atoms | 32 |
| Number of H-Bond Acceptors | 2 |
| Number of H-Bond Donors | 1 |
| Atoms in the Largest π-System | 11 |
| XLogP | 2.1 |