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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

1H-Pyrazole-4-carboxylic acid, 1-(4-methylphenyl)-5-(trifluoromethyl)-

Cc1ccc(cc1)n1ncc(c1C(F)(F)F)C(=O)O Request for Quotation
Chemical Name: 1H-Pyrazole-4-carboxylic acid, 1-(4-methylphenyl)-5-(trifluoromethyl)-
CAS Number: 98534-84-0
Product Number: AG005UEZ(AGN-PC-0KX9RS)
Synonyms:
MDL No:
Molecular Formula: C12H9F3N2O2
Molecular Weight: 270.2073

Identification/Properties

Properties
MP:
151-155 °C(lit.)
BP:
377.8±42.0 °C(Predicted)
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
270.211g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
2
Exact Mass:
270.062g/mol
Monoisotopic Mass:
270.062g/mol
Topological Polar Surface Area:
55.1A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
340
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#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


1-(p-Tolyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid, also known as $name$, is a versatile compound widely utilized in chemical synthesis. This compound serves as a crucial building block in the development of various pharmaceuticals, agrochemicals, and materials due to its unique chemical properties.In chemical synthesis, $name$ is commonly employed as a key intermediate for the synthesis of biologically active compounds. Its functional groups enable it to participate in a variety of reactions, facilitating the creation of complex molecular structures. By utilizing $name$ as a starting material, chemists are able to efficiently access a diverse range of derivatives with tailored properties.Moreover, the presence of the trifluoromethyl group in $name$ enhances its chemical stability and lipophilicity, making it suitable for use in drug discovery and development. This feature enables researchers to fine-tune the pharmacokinetic and pharmacodynamic profiles of potential drug candidates, leading to the creation of more effective pharmaceutical products.Additionally, the p-Tolyl group in $name$ provides further synthetic versatility, allowing for the introduction of additional functionalities through selective chemical transformations. This flexibility enables the synthesis of structurally diverse molecules with potential applications across various industries.Overall, the application of 1-(p-Tolyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid in chemical synthesis showcases its importance as a valuable building block for the creation of novel compounds with potential therapeutic, agricultural, and material science applications.