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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-nitro-1-(2,2,2-trifluoroethyl)-

FC(Cn1ncc(c1)[N+](=O)[O-])(F)F Request for Quotation
Chemical Name: 1H-Pyrazole, 4-nitro-1-(2,2,2-trifluoroethyl)-
CAS Number: 919278-38-9
Product Number: AG00IGYB(AGN-PC-02H1CM)
Synonyms:
MDL No:
Molecular Formula: C5H4F3N3O2
Molecular Weight: 195.0994

Identification/Properties

Computed Properties
Molecular Weight:
195.101g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
1
Exact Mass:
195.026g/mol
Monoisotopic Mass:
195.026g/mol
Topological Polar Surface Area:
63.6A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
202
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
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


4-Nitro-1-(2,2,2-trifluoroethyl)-1H-pyrazole serves as a versatile building block in chemical synthesis due to its unique structural properties. This compound is widely utilized in organic chemistry as a key intermediate for the synthesis of various pharmaceuticals, agrochemicals, and specialty chemicals. Its trifluoroethyl group offers enhanced chemical reactivity and stability, making it a valuable component in the formation of complex molecules. In particular, 4-Nitro-1-(2,2,2-trifluoroethyl)-1H-pyrazole is commonly employed in the development of novel drug candidates and bioactive compounds, showcasing its significance in the field of medicinal chemistry. Additionally, its nitro group provides opportunities for further derivatization, allowing for the creation of diverse molecular structures with tailored functionalities. This compound's strategic placement of functional groups makes it a valuable tool for synthetic chemists seeking to access a wide array of biologically active and commercially relevant compounds.