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 | C23H20ClN3 |
| Molecular Weight | 373.88 g/mol |
| Exact Mass | 373.1346 Da |
| InChI |
InChI=1S/C23H20ClN3/c1-17-22(19-10-6-3-7-11-19)26-27(21-14-12-20(24)13-15-21)23(17)25-16-18-8-4-2-5-9-18/h2-15,25H,16H2,1H3
|
| InChIKey |
MSXVCGGJRHDTAC-UHFFFAOYSA-N
|
| SMILES |
CC1=C(NCC2=CC=CC=C2)N(C3=CC=C(C=C3)Cl)N=C1C4=CC=CC=C4
|
| Number of Atoms | 47 |
| Number of H-Bond Acceptors | 3 |
| Number of H-Bond Donors | 1 |
| Atoms in the Largest π-System | 18 |
| XLogP | 4.5 |
