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 | C19H22N2 |
| Molecular Weight | 278.39 g/mol |
| Exact Mass | 278.1783 Da |
| InChI |
InChI=1S/C19H22N2/c1-19(2)12-13-9-15(16(19)10-13)17-11-18(21(3)20-17)14-7-5-4-6-8-14/h4-9,11,13,16H,10,12H2,1-3H3/t13-,16-/m0/s1
|
| InChIKey |
AWSYPNRVDFHPFW-BBRMVZONSA-N
|
| SMILES |
CC1(C)C[C@H]2C=C([C@@H]1C2)C3=NN(C)C(=C3)C4=CC=CC=C4
|
| Number of Atoms | 43 |
| Number of H-Bond Acceptors | 2 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 13 |
| XLogP | 4.8 |
