1H-Pyrazol-5-ol, 1-phenyl-3-(trifluoromethyl)-


Chemical Name: 1H-Pyrazol-5-ol, 1-phenyl-3-(trifluoromethyl)-
CAS Number: 96145-98-1
Product Number: AG00IJS6(AGN-PC-0OOB69)
Synonyms:
MDL No:
Molecular Formula: C10H7F3N2O
Molecular Weight: 228.1706

Identification/Properties


Computed Properties
Molecular Weight:
228.174g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
228.051g/mol
Monoisotopic Mass:
228.051g/mol
Topological Polar Surface Area:
32.3A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
319
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

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Chemical Structure



2-Phenyl-5-trifluoromethyl-2H-pyrazol-3-ol, also known as $name$, is a versatile compound widely utilized in various chemical synthesis applications. This compound serves as a key building block in the synthesis of pharmaceuticals, agrochemicals, and specialty chemicals due to its unique structural properties and reactivity. In organic synthesis, $name$ is commonly used as a reagent for the construction of heterocyclic frameworks and as a precursor for the introduction of functional groups such as hydroxyl and trifluoromethyl moieties. Its ability to participate in diverse synthetic transformations makes it a valuable tool for the preparation of complex molecules with potential biological activities. Additionally, the presence of the trifluoromethyl group enhances the lipophilicity and metabolic stability of the resulting compounds, making them attractive candidates for drug discovery and development endeavors.