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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>13</sub>N<sub>3</sub>

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Extracted from

Scheme 47

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₅H₁₃N₃
Molecular Weight	235.28 g/mol
Exact Mass	235.1109 Da
InChI	InChI=1S/C15H13N3/c16-13-8-6-12(7-9-13)15-10-14(17-18-15)11-4-2-1-3-5-11/h1-10H,16H2,(H,17,18)
InChIKey	NALOEIBMYNAFPO-UHFFFAOYSA-N
SMILES	C1=CC=C(C=C1)C2=CC(=NN2)C3=CC=C(C=C3)N
Number of Atoms	31
Number of H-Bond Acceptors	3
Number of H-Bond Donors	2
Atoms in the Largest π-System	18
XLogP	2.2

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