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

C₁₂H₂₁BN₂O₂CAS 844891-04-9236.12 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₂₁BN₂O₂
Molar mass: 236.12 g/mol
Exact mass: 236.1696 Da
Melting point: 98–100 °C
logP: 1.34Crippen estimate
Polar surface area: 36.3 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Identifiers

CAS number

844891-04-9

SMILES

Cc1nn(C)c(C)c1B1OC(C)(C)C(C)(C)O1

InChIKey

IZNGYNMIIVJWSO-UHFFFAOYSA-N

InChI

InChI=1S/C12H21BN2O2/c1-8-10(9(2)15(7)14-8)13-16-11(3,4)12(5,6)17-13/h1-7H3

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

Names and synonyms

6 names

1H-Pyrazole, 1,3,5-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
(1,3,5-Trimethyl-1H-pyrazol-4-yl)boronic acid pinacol ester
2-(1,3,5-Trimethylpyrazol-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
1,3,5-Trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
1,3,5-Trimethyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
1,3,5-Trimethyl-1H-pyrazole-4-boronic acid pinacol ester

Work with 1,3,5-Trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-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

1,3-Dimethyl-1H-pyrazole-4-boronic acid,pinacol ester1046832-21-646 % similar 1,4-Dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole1047644-76-746 % similar 3,5-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoxazole832114-00-845 % similar 1,3,5-Trimethyl-1H-pyrazol-4-amine28466-21-941 % similar 1-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole1020174-04-238 % similar 1-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole761446-44-038 % similar 3-Methylpyrazole-4-boronic acid pinacol ester936250-20-338 % similar 2-Methylpyridine-3-boronic acid pinacol ester1012084-56-837 % similar

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

Same formula

1-Propyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole827614-69-7

Elsewhere

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