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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>14</sub>H<sub>11</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	C₁₄H₁₁N₃
Molecular Weight	221.26 g/mol
Exact Mass	221.0953 Da
InChI	InChI=1S/C14H11N3/c1-2-6-11(7-3-1)13-10-14(17-16-13)12-8-4-5-9-15-12/h1-10H,(H,16,17)
InChIKey	YIJNRVWBLNFTQV-UHFFFAOYSA-N
SMILES	C1=CC=C(C=C1)C2=NNC(=C2)C3=NC=CC=C3
Number of Atoms	28
Number of H-Bond Acceptors	3
Number of H-Bond Donors	1
Atoms in the Largest π-System	17
XLogP	1.8

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