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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-methoxyphenyl)-5-(trifluoromethyl)-

COc1ccc(cc1)n1ncc(c1C(F)(F)F)C(=O)O Request for Quotation
Chemical Name: 1H-Pyrazole-4-carboxylic acid, 1-(4-methoxyphenyl)-5-(trifluoromethyl)-
CAS Number: 98534-83-9
Product Number: AG005UF0(AGN-PC-0LNT3C)
Synonyms:
MDL No:
Molecular Formula: C12H9F3N2O3
Molecular Weight: 286.2067

Identification/Properties

Computed Properties
Molecular Weight:
286.21g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
3
Exact Mass:
286.057g/mol
Monoisotopic Mass:
286.057g/mol
Topological Polar Surface Area:
64.4A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
356
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:
H317
Precautionary Statements:
P280
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


1H-Pyrazole-4-carboxylic acid, 1-(4-methoxyphenyl)-5-(trifluoromethyl)- is a versatile compound widely utilized in chemical synthesis due to its unique reactivity and functional groups. This compound serves as a crucial building block in the development of various pharmaceuticals, agrochemicals, and materials. It is commonly employed as a key intermediate in the synthesis of biologically active compounds, such as potential antitumor agents, antiviral drugs, and enzyme inhibitors. The trifluoromethyl group on the molecule enhances its lipophilicity and metabolic stability, making it an attractive moiety for drug design. Additionally, the presence of the 4-methoxyphenyl group provides opportunities for further diversification through various functional group transformations. In modern organic synthesis, the strategic incorporation of 1H-Pyrazole-4-carboxylic acid, 1-(4-methoxyphenyl)-5-(trifluoromethyl)- enables chemists to access a wide array of structurally diverse and pharmacologically important compounds with potential therapeutic applications.