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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>14</sub>N<sub>4</sub>

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Extracted from

Scheme 5

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₅H₁₄N₄
Molecular Weight	250.30 g/mol
Exact Mass	250.1218 Da
InChI	InChI=1S/C15H14N4/c1-3-7-12(8-4-1)16-14-11-15(19-18-14)17-13-9-5-2-6-10-13/h1-11H,(H3,16,17,18,19)
InChIKey	LINHOSSSJLYLGM-UHFFFAOYSA-N
SMILES	C1=CC=C(C=C1)NC2=CC(=NN2)NC3=CC=CC=C3
Number of Atoms	33
Number of H-Bond Acceptors	4
Number of H-Bond Donors	3
Atoms in the Largest π-System	19
XLogP	2.7

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