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 | C26H22N4 |
| Molecular Weight | 390.48 g/mol |
| Exact Mass | 390.1844 Da |
| InChI |
InChI=1S/C26H22N4/c1-29-25(17-23(27-29)19-9-5-3-6-10-19)21-13-15-22(16-14-21)26-18-24(28-30(26)2)20-11-7-4-8-12-20/h3-18H,1-2H3
|
| InChIKey |
KMNASTHTYKTYEB-UHFFFAOYSA-N
|
| SMILES |
CN1C(=CC(=N1)C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC(=NN4C)C5=CC=CC=C5
|
| Number of Atoms | 52 |
| Number of H-Bond Acceptors | 4 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 28 |
| XLogP | 4.1 |
