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 | C19H24N2O4 |
| Molecular Weight | 344.41 g/mol |
| Exact Mass | 344.1736 Da |
| InChI |
InChI=1S/C19H24N2O4/c1-4-5-6-10-13-15-16(18(22)24-2)17(19(23)25-3)21(20-15)14-11-8-7-9-12-14/h7-9,11-12H,4-6,10,13H2,1-3H3
|
| InChIKey |
UTSHPJUPZQYIRL-UHFFFAOYSA-N
|
| SMILES |
CCCCCCC1=NN(C2=CC=CC=C2)C(=C1C(=O)OC)C(=O)OC
|
| Number of Atoms | 49 |
| Number of H-Bond Acceptors | 6 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 17 |
| XLogP | 4.0 |
