3-[3-(5,5-dimethyl-[1,3,2]dioxaborinan-2-yl)phenyl]-1-methyl-1H-pyrazole

HCID 22329554
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Basic information

Standard SMILES
Cn1ccc(-c2cccc(B3OCC(C)(C)CO3)c2)n1
InChIKey
DZVQLQJBDDROAN-UHFFFAOYSA-N
Molecular formula
C15H19BN2O2
Average molar mass
270.14 g/mol
Monoisotopic mass
270.153958

Names & identifiers

Preferred name
3-[3-(5,5-dimethyl-[1,3,2]dioxaborinan-2-yl)phenyl]-1-methyl-1H-pyrazole
IUPAC
3-[3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]-1-methylpyrazole

Names & synonyms

SCHEMBL2658483DZVQLQJBDDROAN-UHFFFAOYSA-N3-[3-(5,5-dimethyl-[1,3,2]dioxaborinan-2-yl)phenyl]-1-methyl-1H-pyrazole

Database identifiers

PubChem CID
22329554

Properties

Computed structural properties

Topological polar surface area
36.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
20

Related reactions

2 records
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Compound notes

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