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 | C11H18N2 |
| Molecular Weight | 178.27 g/mol |
| Exact Mass | 178.1470 Da |
| InChI |
InChI=1S/C11H18N2/c1-5-8-9-10(6-2)12-13(4)11(9)7-3/h5H,1,6-8H2,2-4H3
|
| InChIKey |
QVXFSZLIZUEAHA-UHFFFAOYSA-N
|
| SMILES |
C=CCC1=C(CC)N(C)N=C1CC
|
| Number of Atoms | 31 |
| Number of H-Bond Acceptors | 2 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 5 |
| XLogP | 2.6 |