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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>ClN<sub>2</sub>O

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Extracted from

Scheme 16

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₅H₁₁ClN₂O
Molecular Weight	270.71 g/mol
Exact Mass	270.0560 Da
InChI	InChI=1S/C15H11ClN2O/c16-11-6-7-14(19)12(8-11)15-13(9-17-18-15)10-4-2-1-3-5-10/h1-9,19H,(H,17,18)
InChIKey	WJLWYCYWRHETIA-UHFFFAOYSA-N
SMILES	C1=CC=C(C=C1)C2=CNN=C2C3=CC(=CC=C3O)Cl
Number of Atoms	30
Number of H-Bond Acceptors	3
Number of H-Bond Donors	2
Atoms in the Largest π-System	18
XLogP	3.5

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