chempirical

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

C11H19BN2O2CAS 847818-79-5222.09 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
1.03Crippen estimate
Polar surface area
36.3 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
847818-79-5
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=NN2C)C
InChIKey
WZHOBXRNVCZJGB-UHFFFAOYSA-N
InChI
InChI=1S/C11H19BN2O2/c1-8-7-9(14(6)13-8)12-15-10(2,3)11(4,5)16-12/h7H,1-6H3

Weigh it out

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

Work with 1,3-Dimethyl-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-Methyl-1H-pyrazole-5-boronic acid pinacol ester847818-74-054 % similar 2-Methylpyridine-4-boronic acid pinacol ester660867-80-148 % similar 1,3,5-Trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole844891-04-946 % similar 1,3,5-Trimethylpyrazole1072-91-943 % similar 1-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole1020174-04-241 % similar 2-Picoline-5-boronic acid pinacolate610768-32-641 % similar 1-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole761446-44-041 % similar 1,3,5-Phenyltriboronic acid, pinacol ester365564-05-241 % similar

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

Same formula

1-Ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole1007110-53-3 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 3,5-Dimethylpyrazole-4-boronic acid, pinacol ester857530-80-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook