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5-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-1-isopropyl-1H-pyrazole

5-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-1-isopropyl-1H-pyrazole

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Molecular Formula:

C11H19BN2O2

Molecular Weight:

222.09

Product Information

Molecular Formula:

C11H19BN2O2

Molecular Weight:

222.09

Description

5-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-1-isopropyl-1H-pyrazole, known for its intricate molecular configuration and potent properties, has emerged as a pivotal entity in the realm of biomedical science. Its versatility is exemplified by its potential to function as an anti-inflammatory avenger, captivating the attention of researchers investigating novel therapeutic avenues to combat ailments ranging from malignancies to autoimmune maladies. Within the realm of pharmacology, its distinctive chemical architecture presents itself as an exquisite contender for targeted medicament conveyance, thereby augmenting therapeutic efficacy and diminishing adverse effects.

Synonyms

5-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1-propan-2-ylpyrazole; 5-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1-(propan-2-yl)-1H-pyrazole; 5-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-1-isopropyl-1H-pyrazole

IUPAC Name

5-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1-propan-2-ylpyrazole

Canonical SMILES

B1(OCC(CO1)(C)C)C2=CC=NN2C(C)C

InChI

InChI=1S/C11H19BN2O2/c1-9(2)14-10(5-6-13-14)12-15-7-11(3,4)8-16-12/h5-6,9H,7-8H2,1-4H3

InChI Key

QXWDTGOYOJZMQK-UHFFFAOYSA-N

Flash Point

Not applicable

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

222.1539580 g/mol

Monoisotopic Mass

222.1539580 g/mol

Topological Polar Surface Area

36.3Å²

Heavy Atom Count

Formal Charge

Complexity

238

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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5-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-1-isopropyl-1H-pyrazole

Product Information

Computed Properties

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