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 | C25H21N5 |
| Molecular Weight | 391.47 g/mol |
| Exact Mass | 391.1797 Da |
| InChI |
InChI=1S/C25H21N5/c1-4-10-20(11-5-1)17-29-19-24(26-28-29)25-16-23(22-14-8-3-9-15-22)27-30(25)18-21-12-6-2-7-13-21/h1-16,19H,17-18H2
|
| InChIKey |
PWODPVZPONNDGY-UHFFFAOYSA-N
|
| SMILES |
C1=CC=C(C=C1)CN2C=C(C3=CC(=NN3CC4=CC=CC=C4)C5=CC=CC=C5)N=N2
|
| Number of Atoms | 51 |
| Number of H-Bond Acceptors | 5 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 16 |
| XLogP | 3.8 |
