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 | C19H18N2O2 |
| Molecular Weight | 306.36 g/mol |
| Exact Mass | 306.1368 Da |
| InChI |
InChI=1S/C19H18N2O2/c1-3-23-19(22)17-14(2)21(16-12-8-5-9-13-16)20-18(17)15-10-6-4-7-11-15/h4-13H,3H2,1-2H3
|
| InChIKey |
VCPCQJHHHVITQW-UHFFFAOYSA-N
|
| SMILES |
CCOC(=O)C1=C(C)N(C2=CC=CC=C2)N=C1C3=CC=CC=C3
|
| Number of Atoms | 41 |
| Number of H-Bond Acceptors | 4 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 20 |
| XLogP | 3.2 |
