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 | C15H15N5O2 |
| Molecular Weight | 297.31 g/mol |
| Exact Mass | 297.1226 Da |
| InChI |
InChI=1S/C15H15N5O2/c1-19-14(8-12(17-19)11-6-4-3-5-7-11)13-9-20(18-16-13)10-15(21)22-2/h3-9H,10H2,1-2H3
|
| InChIKey |
LPTBCYJITNAYDD-UHFFFAOYSA-N
|
| SMILES |
CN1C(=CC(=N1)C2=CC=CC=C2)C3=CN(CC(=O)OC)N=N3
|
| Number of Atoms | 37 |
| Number of H-Bond Acceptors | 7 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 16 |
| XLogP | 1.3 |