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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>12</sub>N<sub>2</sub>

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Extracted from

Scheme 47 Scheme 57

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₅H₁₂N₂
Molecular Weight	220.27 g/mol
Exact Mass	220.1001 Da
InChI	InChI=1S/C15H12N2/c1-3-7-12(8-4-1)14-11-15(17-16-14)13-9-5-2-6-10-13/h1-11H,(H,16,17)
InChIKey	JXHKUYQCEJILEI-UHFFFAOYSA-N
SMILES	C1=CC=C(C=C1)C2=CC(=NN2)C3=CC=CC=C3
Number of Atoms	29
Number of H-Bond Acceptors	2
Number of H-Bond Donors	1
Atoms in the Largest π-System	17
XLogP	3.3

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