chempirical

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

C11H19BN2O2CAS 1007110-53-3222.09 g/mol

Open in Covalent MOL file
BOONN
Boronic ester

Properties

Molecular formula
C11H19BN2O2
Molar mass
222.09 g/mol
Exact mass
222.1540 Da
logP
1.20Crippen estimate
Polar surface area
36.3 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
1007110-53-3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=NN2CC
InChIKey
PKJCXHILXIEALN-UHFFFAOYSA-N
InChI
InChI=1S/C11H19BN2O2/c1-6-14-9(7-8-13-14)12-15-10(2,3)11(4,5)16-12/h7-8H,6H2,1-5H3

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Names and synonyms

1 names
  • 1-Ethylpyrazole-5-boronic acid, pinacol ester

Work with 1-Ethyl-5-(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-(Tetrahydro-2H-pyran-2-yl)-1H-pyrazole-5-boronic acid pinacol ester903550-26-548 % similar 5-Amino-1-ethylpyrazole3528-58-343 % similar 1-Propyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole827614-69-740 % 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 1-Cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole1151802-22-038 % similar 1-Benzyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole761446-45-138 % 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

1,3-Dimethyl-1H-pyrazole-4-boronic acid,pinacol ester1046832-21-6 1,4-Dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole1047644-76-7 1-Ethylpyrazole-4-boronic acid pinacol ester847818-70-6

Elsewhere

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