3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolane)-pyrazole

C₉H₁₅BN₂O₂CAS 844501-71-9194.04 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₅BN₂O₂
Molar mass: 194.04 g/mol
Exact mass: 194.1227 Da
logP: 0.71Crippen estimate
Polar surface area: 47.1 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

844501-71-9

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC=NN2

InChIKey

KWLOIDOKWUESNM-UHFFFAOYSA-N

InChI

InChI=1S/C9H15BN2O2/c1-8(2)9(3,4)14-10(13-8)7-5-6-11-12-7/h5-6H,1-4H3,(H,11,12)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

Work with 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolane)-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

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine181219-01-248 % similar 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole885618-33-745 % similar 7-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole915411-02-845 % similar 2-Methylpyridine-3-boronic acid pinacol ester1012084-56-845 % similar 2-Bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine452972-12-245 % similar Pyridine-2-boronic acid pinacol ester874186-98-844 % similar Indazole-5-boronic acid pinacol ester862723-42-044 % similar 1H-Pyrazole-5-boronic acid376584-63-344 % similar

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

Same formula

4-Pyrazoleboronic acid pinacol ester269410-08-4

Elsewhere

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