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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

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Chemical structure C<sub>15</sub>H<sub>18</sub>N<sub>2</sub>O<sub>2</sub>

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Extracted from

Scheme 29

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₅H₁₈N₂O₂
Molecular Weight	258.32 g/mol
Exact Mass	258.1368 Da
InChI	InChI=1S/C15H18N2O2/c1-11-13(14(18)19-15(2,3)4)10-16-17(11)12-8-6-5-7-9-12/h5-10H,1-4H3
InChIKey	MKRLREIWYQECLO-UHFFFAOYSA-N
SMILES	CC1=C(C=NN1C2=CC=CC=C2)C(=O)OC(C)(C)C
Number of Atoms	37
Number of H-Bond Acceptors	4
Number of H-Bond Donors	0
Atoms in the Largest π-System	14
XLogP	2.9

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