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 | C11H11FN2 |
| Molecular Weight | 190.22 g/mol |
| Exact Mass | 190.0906 Da |
| InChI |
InChI=1S/C11H11FN2/c1-8-7-9(2)14(13-8)11-5-3-10(12)4-6-11/h3-7H,1-2H3
|
| InChIKey |
ZIJUTMPYXMDKLO-UHFFFAOYSA-N
|
| SMILES |
CC1=NN(C(=C1)C)C2=CC=C(C=C2)F
|
| Number of Atoms | 25 |
| Number of H-Bond Acceptors | 2 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 11 |
| XLogP | 1.8 |