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 | C20H21N3 |
| Molecular Weight | 303.40 g/mol |
| Exact Mass | 303.1736 Da |
| InChI |
InChI=1S/C20H21N3/c1-4-10-17(11-5-1)19-16-20(22-14-8-3-9-15-22)23(21-19)18-12-6-2-7-13-18/h1-2,4-7,10-13,16H,3,8-9,14-15H2
|
| InChIKey |
JNDVHBDKYHZGDK-UHFFFAOYSA-N
|
| SMILES |
C1=CC=C(C=C1)C2=NN(C3=CC=CC=C3)C(=C2)N4CCCCC4
|
| Number of Atoms | 44 |
| Number of H-Bond Acceptors | 3 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 18 |
| XLogP | 4.4 |
