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

C10H17BN2O2CAS 1020174-04-2208.07 g/mol

Open in Covalent MOL file
BOONN
Boronic ester

Properties

Molecular formula
C10H17BN2O2
Molar mass
208.07 g/mol
Exact mass
208.1383 Da
logP
0.72Crippen estimate
Polar surface area
36.3 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 20 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1020174-04-2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=NN(C=C2)C
InChIKey
BJMSXWLXFYZHIU-UHFFFAOYSA-N
InChI
InChI=1S/C10H17BN2O2/c1-9(2)10(3,4)15-11(14-9)8-6-7-13(5)12-8/h6-7H,1-5H3

Weigh it out

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

Work with 1-Methyl-3-(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 ester1046832-21-649 % similar Pyridine-2-boronic acid pinacol ester874186-98-846 % similar 2,2'-(1,4-Phenylene)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)99770-93-144 % similar 2-Chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine652148-92-044 % similar 2-Bromo-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine651358-83-743 % similar 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine181219-01-242 % similar 1,3-Dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole847818-79-541 % similar 2,2'-((1,1'-Biphenyl)-4,4'-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)207611-87-840 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

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 3-Methyl-1H-pyrazole-4-boronic acid pinacol ester936250-20-3

Elsewhere

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