3-Methyl-1H-pyrazole-4-boronic acid pinacol ester

C₁₀H₁₇BN₂O₂CAS 936250-20-3208.07 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₇BN₂O₂
Molar mass: 208.07 g/mol
Exact mass: 208.1383 Da
logP: 1.02Crippen estimate
Polar surface area: 47.1 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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)

Weigh it out

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

Names and synonyms

5 names

3-Methylpyrazole-4-boronic acid pinacol ester
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-Methyl-1H-pyrazole-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 3,5-Dimethylpyrazole-4-boronic acid, pinacol ester857530-80-447 % similar 4-Pyrazoleboronic acid pinacol ester269410-08-446 % 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 4,7-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,1,3-benzothiadiazole934365-16-942 % similar 2,6-Dimethoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine214360-59-540 % 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 1-Methyl-1H-pyrazole-5-boronic acid pinacol ester847818-74-0

Elsewhere

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