1H-Pyrazole-4-methanol, 1-methyl-3-(trifluoromethyl)-


Chemical Name: 1H-Pyrazole-4-methanol, 1-methyl-3-(trifluoromethyl)-
CAS Number: 540468-96-0
Product Number: AG00DF30(AGN-PC-034S94)
Synonyms:
MDL No:
Molecular Formula: C6H7F3N2O
Molecular Weight: 180.1278

Identification/Properties


Computed Properties
Molecular Weight:
180.13g/mol
XLogP3:
0.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
180.051g/mol
Monoisotopic Mass:
180.051g/mol
Topological Polar Surface Area:
38A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
161
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



The compound (1-Methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methanol, when utilized in chemical synthesis, serves as a versatile building block in the creation of various organic molecules. Its unique structure containing a trifluoromethyl group and a pyrazole ring confers distinct properties that can be harnessed for a range of synthetic purposes. In organic synthesis, this compound can be employed as a reagent or precursor in the formation of complex molecules through various transformations such as nucleophilic additions, condensations, or metal-catalyzed reactions. The trifluoromethyl group can act as a directing group in selective functionalization processes, enabling the introduction of fluorine-containing motifs into target compounds. Additionally, the pyrazole ring moiety imparts specific reactivity patterns that can be exploited for the construction of heterocyclic frameworks commonly found in bioactive compounds and pharmaceutical agents.Furthermore, the presence of the hydroxyl group in (1-Methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methanol facilitates further derivatization via oxidation, reduction, or substitution reactions, expanding the scope of its synthetic utility. Overall, the strategic incorporation of this compound in chemical synthesis paves the way for the efficient and tailored assembly of structurally diverse molecules with potential applications in medicinal chemistry, materials science, and agrochemical development.