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 | C14H16N2 |
| Molecular Weight | 212.29 g/mol |
| Exact Mass | 212.1313 Da |
| InChI |
InChI=1S/C14H16N2/c1-4-8-14-11(2)15-16(12(14)3)13-9-6-5-7-10-13/h4-7,9-10H,1,8H2,2-3H3
|
| InChIKey |
ZPVUZKPXZSNXGC-UHFFFAOYSA-N
|
| SMILES |
C=CCC1=C(C)N(C2=CC=CC=C2)N=C1C
|
| Number of Atoms | 32 |
| Number of H-Bond Acceptors | 2 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 11 |
| XLogP | 2.9 |