chempirical

3-Methylpyrazole-4-boronic acid pinacol ester

C10H17BN2O2CAS 936250-20-3208.07 g/mol

Open in Covalent MOL file
NNHBOO
Boronic ester

Properties

Molecular formula
C10H17BN2O2
Molar mass
208.07 g/mol
Exact mass
208.1383 Da
logP
1.02Crippen estimate
Polar surface area
47.1 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
936250-20-3
SMILES
Cc1n[nH]cc1B1OC(C)(C)C(C)(C)O1
InChIKey
MSJAEFFWTBMIKT-UHFFFAOYSA-N
InChI
InChI=1S/C10H17BN2O2/c1-7-8(6-12-13-7)11-14-9(2,3)10(4,5)15-11/h6H,1-5H3,(H,12,13)

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

Names and synonyms

4 names
  • 1H-Pyrazole, 3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
  • 3-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
  • (3-Methyl-1H-pyrazol-4-yl)boronic acid pinacol ester
  • 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(methyl)-1H-pyrazole

Work with 3-Methylpyrazole-4-boronic 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

2-Methylpyridine-3-boronic acid pinacol ester1012084-56-850 % similar 1,3-Dimethyl-1H-pyrazole-4-boronic acid,pinacol ester1046832-21-649 % similar 4,4,5,5-Tetramethyl-2-O-tolyl-1,3,2-dioxaborolane195062-59-043 % similar 4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine1171891-31-843 % similar 3,5-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoxazole832114-00-840 % similar 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole885618-33-740 % similar 3,4-Dimethylpyrazole2820-37-339 % similar 2-Bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine452972-12-239 % similar

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

Same formula

1-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole1020174-04-2 1-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole761446-44-0

Elsewhere

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