CAS 864754-18-7|4-{2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethyl}morpholine|1-(2-Morpholinoethyl)-1H-pyrazole-4-boronic acid, pinacol ester|4-{2-[4-(tetramethyl-1,3,2-dioxaborolan-2-y...

General Information

Structure

Molecular Formula

C₁₅H₂₆BN₃O₃

Molecular Mass

307.19624

Exact Mass

307.20672211

Charge

InChI

InChI=1S/C15H26BN3O3/c1-14(2)15(3,4)22-16(21-14)13-11-17-19(12-13)6-5-18-7-9-20-10-8-18/h11-12H,5-10H2,1-4H3

InChIKey

FBAPTUAEBQMVEY-UHFFFAOYSA-N

Canonic Smiles

CC1(C)OB(OC1(C)C)c1cnn(c1)CCN1CCOCC1

Isomeric Smiles

n1(CCN2CCOCC2)cc(B2OC(C)(C)C(O2)(C)C)cn1

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

0.7747412

LogD (pH = 7.4)

1.7598861

Log P

1.8108

Molar Refractivity

91.7101

Polarizability

33.28186

Polar Surface Area

48.75

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

4-{2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethyl}morpholine

Synonyms

1-(2-Morpholinoethyl)-1H-pyrazole-4-boronic acid, pinacol ester4-{2-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]ethyl}morpholine1-[2-(Morpholin-4-yl)ethyl]-1H-pyrazole-4-boronic acid, pinacol ester1-(2-吗啉乙基)-1H-吡唑-4-硼酸频哪醇酯1-(2-Morpholinoethyl)-1H-pyrazole-4-boronic acid pinacol ester

IUPAC name

4-{2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]ethyl}morpholine

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem CID

PubChem SID