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 | C19H19N3O |
| Molecular Weight | 305.37 g/mol |
| Exact Mass | 305.1528 Da |
| InChI |
InChI=1S/C19H19N3O/c1-3-7-16(8-4-1)18-15-19(21-11-13-23-14-12-21)22(20-18)17-9-5-2-6-10-17/h1-10,15H,11-14H2
|
| InChIKey |
SPYRDIZEWSDZEB-UHFFFAOYSA-N
|
| SMILES |
C1=CC=C(C=C1)C2=NN(C3=CC=CC=C3)C(=C2)N4CCOCC4
|
| Number of Atoms | 42 |
| Number of H-Bond Acceptors | 4 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 18 |
| XLogP | 3.1 |
