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 | C23H18N2 |
| Molecular Weight | 322.40 g/mol |
| Exact Mass | 322.1470 Da |
| InChI |
InChI=1S/C23H18N2/c1-3-10-18(11-4-1)23-21-16-15-17-9-7-8-14-20(17)22(21)24-25(23)19-12-5-2-6-13-19/h1-14H,15-16H2
|
| InChIKey |
AFNBUGXAZQWXNO-UHFFFAOYSA-N
|
| SMILES |
C1=CC=C(C=C1)C2=C3CCC4=C(C=CC=C4)C3=NN2C5=CC=CC=C5
|
| Number of Atoms | 43 |
| Number of H-Bond Acceptors | 2 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 23 |
| XLogP | 4.0 |
