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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>19</sub>H<sub>19</sub>N<sub>3</sub>O<sub>2</sub>

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Extracted from

Scheme 27

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₉H₁₉N₃O₂
Molecular Weight	321.37 g/mol
Exact Mass	321.1477 Da
InChI	InChI=1S/C19H19N3O2/c1-19(2,3)15-6-4-14(5-7-15)18-12-13-21(20-18)16-8-10-17(11-9-16)22(23)24/h4-13H,1-3H3
InChIKey	GMVGFDAJXLMLTC-UHFFFAOYSA-N
SMILES	CC(C)(C)C1=CC=C(C=C1)C2=NN(C=C2)C3=CC=C(C=C3)[N+](=O)[O-]
Number of Atoms	43
Number of H-Bond Acceptors	2
Number of H-Bond Donors	0
Atoms in the Largest π-System	20
XLogP	4.5

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