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

C₁₀H₁₅BF₂N₂O₂CAS 1206640-82-5244.05 g/mol

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Alkyl halide Boronic ester

Properties

Molecular formula: C₁₀H₁₅BF₂N₂O₂
Molar mass: 244.05 g/mol
Exact mass: 244.1195 Da
logP: 1.58Crippen estimate
Polar surface area: 36.3 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Identifiers

CAS number

1206640-82-5

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)C(F)F

InChIKey

SACVSUQLLHEZLY-UHFFFAOYSA-N

InChI

InChI=1S/C10H15BF2N2O2/c1-9(2)10(3,4)17-11(16-9)7-5-14-15(6-7)8(12)13/h5-6,8H,1-4H3

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Names and synonyms

1 names

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

Work with 1-(Difluoromethyl)-4-(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-Cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole1151802-22-068 % similar 1-Cyclobutyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole1002309-48-965 % similar 1-(Tetrahydro-2H-pyran-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole1040377-03-462 % similar 1-(1-Ethoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole1029716-44-659 % similar 1-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole761446-44-058 % similar 1-(2-Tetrahydropyranyl)-1H-pyrazole-4-boronic acid pinacol ester1003846-21-658 % similar 1-Ethylpyrazole-4-boronic acid pinacol ester847818-70-654 % similar 1-Isobutyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole827614-66-453 % similar

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

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