chempirical

3-Bromo-1-(oxan-2-yl)-1H-pyrazole

C8H11BrN2OCAS 1044270-96-3231.09 g/mol

Open in Covalent MOL file
ONNBr
Aryl halideEther

Properties

Molecular formula
C8H11BrN2O
Molar mass
231.09 g/mol
Exact mass
230.0055 Da
logP
2.34Crippen estimate
Polar surface area
27.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
1044270-96-3
SMILES
C1CCOC(C1)N2C=CC(=N2)Br
InChIKey
DFCAINPSKAFWCM-UHFFFAOYSA-N
InChI
InChI=1S/C8H11BrN2O/c9-7-4-5-11(10-7)8-3-1-2-6-12-8/h4-5,8H,1-3,6H2

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Work with 3-Bromo-1-(oxan-2-yl)-1H-pyrazole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

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Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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