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 | C15H12N2 |
| Molecular Weight | 220.27 g/mol |
| Exact Mass | 220.1001 Da |
| InChI |
InChI=1S/C15H12N2/c1-3-7-13(8-4-1)14-11-16-17(12-14)15-9-5-2-6-10-15/h1-12H
|
| InChIKey |
CYKVEARUNZRABH-UHFFFAOYSA-N
|
| SMILES |
C1=CC=C(C=C1)C2=CN(C3=CC=CC=C3)N=C2
|
| Number of Atoms | 29 |
| Number of H-Bond Acceptors | 2 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 17 |
| XLogP | 3.1 |