Potassium 1-methyl-1H-pyrazole-5-trifluoroborate

Inquiry

Molecular Formula:

C4H5BF3KN2

Molecular Weight:

188.00

CAS Number:

1258323-45-3

Catalog Number:

1258323-45-3

Product Information

Molecular Formula:

C4H5BF3KN2

Molecular Weight:

188.00

Description

Potassium 1-methyl-1H-pyrazole-5-trifluoroborate is a widely employed compound in the biomedical industry. Prominently utilized in pharmaceutical drug development, particularly for diverse disease treatments, this compound's exceptional properties enable its integration into targeted drug formulations.

Synonyms

Potassium trifluoro(1-methyl-1H-pyrazol-5-yl)borate

IUPAC Name

potassiumtrifluoro-(2-methylpyrazol-3-yl)boranuide

Canonical SMILES

[B-](C1=CC=NN1C)(F)(F)F.[K+]

InChI

InChI=1S/C4H5BF3N2.K/c1-10-4(2-3-9-10)5(6,7)8/h2-3H,1H3/q-1+1

InChI Key

UJQYAMWDUIKNDK-UHFFFAOYSA-N

Melting Point

230-275 °C

Purity

95%

Safety Information

Hazards

H302-H315-H319-H335

Precautionary Statement

P261-P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

188.0134943 g/mol

Monoisotopic Mass

188.0134943 g/mol

Topological Polar Surface Area

17.8Å²

Heavy Atom Count

Formal Charge

Complexity

131

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

Patents

Publication Number	Title	Priority Date
AU-2015268962-A1	MTH1 inhibitors for treatment of inflammatory and autoimmune conditions	2014-06-04
EP-3151833-A1	Mth1 inhibitors for treatment of inflammatory and autoimmune conditions	2014-06-04
US-10064869-B2	MTH1 inhibitors for treatment of inflammatory and autoimmune conditions	2014-06-04
US-10632125-B2	MTH1 inhibitors for treatment of inflammatory and autoimmune conditions	2014-06-04
US-2017196873-A1	Mth1 inhibitors for treatment of inflammatory and autoimmune conditions	2014-06-04
US-2019000856-A1	Mth1 inhibitors for treatment of inflammatory and autoimmune conditions	2014-06-04
WO-2015187089-A1	Mth1 inhibitors for treatment of inflammatory and autoimmune conditions	2014-06-04

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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