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 | C16H14N2 |
| Molecular Weight | 234.30 g/mol |
| Exact Mass | 234.1157 Da |
| InChI |
InChI=1S/C16H14N2/c1-18-16(14-10-6-3-7-11-14)12-15(17-18)13-8-4-2-5-9-13/h2-12H,1H3
|
| InChIKey |
SVDTUJAQNAQGGW-UHFFFAOYSA-N
|
| SMILES |
CN1C(=CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3
|
| Number of Atoms | 32 |
| Number of H-Bond Acceptors | 2 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 17 |
| XLogP | 3.1 |