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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>11</sub>N<sub>3</sub>O<sub>3</sub>

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Extracted from

Scheme 16

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₅H₁₁N₃O₃
Molecular Weight	281.27 g/mol
Exact Mass	281.0800 Da
InChI	InChI=1S/C15H11N3O3/c19-14-7-6-11(18(20)21)8-12(14)15-13(9-16-17-15)10-4-2-1-3-5-10/h1-9,19H,(H,16,17)
InChIKey	WKBAZPJHPPFKRR-UHFFFAOYSA-N
SMILES	C1=CC=C(C=C1)C2=CNN=C2C3=CC(=CC=C3O)[N+](=O)[O-]
Number of Atoms	32
Number of H-Bond Acceptors	3
Number of H-Bond Donors	2
Atoms in the Largest π-System	21
XLogP	3.1

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