4-Pyrazoleboronic acid pinacol ester

C₉H₁₅BN₂O₂CAS 269410-08-4194.04 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

269410-08-4

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CNN=C2

InChIKey

TVOJIBGZFYMWDT-UHFFFAOYSA-N

InChI

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

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

Work with 4-Pyrazoleboronic acid pinacol ester

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

1,3,5-Phenyltriboronic acid, pinacol ester365564-05-252 % similar 2-Chloropyrimidine-5-boronic acid pinacol ester1003845-08-650 % similar 2-Bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine214360-62-049 % similar 2-Aminopyrimidine-5-boronic acid pinacol ester402960-38-749 % similar 2-Fluoro-5-(4 4 5 5-tetramethyl-(1 3 2)&444120-95-047 % similar 2,2'-((1,1'-Biphenyl)-4,4'-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)207611-87-847 % similar 1-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole761446-44-046 % similar 2-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine444120-94-945 % similar

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

Elsewhere

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