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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-carbonitrile, 3-(trifluoromethyl)-

N#Cc1c[nH]nc1C(F)(F)F Request for Quotation
Chemical Name: 1H-Pyrazole-4-carbonitrile, 3-(trifluoromethyl)-
CAS Number: 318951-60-9
Product Number: AG00CLM4(AGN-PC-0O8VAX)
Synonyms:
MDL No:
Molecular Formula: C5H2F3N3
Molecular Weight: 161.0847

Identification/Properties

Computed Properties
Molecular Weight:
161.087g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
0
Exact Mass:
161.02g/mol
Monoisotopic Mass:
161.02g/mol
Topological Polar Surface Area:
52.5A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
191
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

NMR Spectrum

Other Analytical Data

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Chemical Structure


3-(Trifluoromethyl)-1H-pyrazole-4-carbonitrile is a highly versatile compound widely utilized in chemical synthesis. In organic chemistry, this compound serves as a valuable building block for the creation of various pharmaceuticals, agrochemicals, and specialty chemicals. Its unique structure and reactivity make it an essential intermediate in the production of diverse compounds with therapeutic, agricultural, and industrial applications.This compound can be effectively employed as a key precursor in the synthesis of complex molecules due to its ability to undergo a range of functional group transformations. Its trifluoromethyl group enhances the compound's lipophilicity and metabolic stability, making it an attractive candidate for drug design and discovery. Additionally, the presence of the cyano group enables facile introduction of nitrogen functionalities into target molecules, expanding the synthetic possibilities for chemists.The incorporation of 3-(Trifluoromethyl)-1H-pyrazole-4-carbonitrile in chemical synthesis enables the rapid construction of molecular scaffolds with diverse biological activities. Its application extends beyond medicinal chemistry to areas such as materials science and catalysis, highlighting its importance as a versatile synthetic building block for the development of novel compounds with valuable properties.