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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)-

Benzonitrile,4-(1H-pyrazol-1-ylmethyl)-

N#Cc1ccc(cc1)Cn1cccn1 Request for Quotation
Chemical Name: Benzonitrile,4-(1H-pyrazol-1-ylmethyl)-
CAS Number: 179057-34-2
Product Number: AG0026QH(AGN-PC-0QBI5T)
Synonyms:
MDL No:
Molecular Formula: C11H9N3
Molecular Weight: 183.2093

Identification/Properties

Computed Properties
Molecular Weight:
183.214g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
183.08g/mol
Monoisotopic Mass:
183.08g/mol
Topological Polar Surface Area:
41.6A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
222
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


4-((1H-Pyrazol-1-yl)methyl)benzonitrile is a versatile compound that finds wide application in chemical synthesis, particularly in the field of organic chemistry. This compound serves as a crucial building block in the synthesis of various pharmaceuticals, agrochemicals, and advanced materials due to its unique structural properties and reactivity.One of the key applications of 4-((1H-Pyrazol-1-yl)methyl)benzonitrile lies in its ability to act as a versatile scaffold for the construction of diverse molecular structures. Its functional groups and molecular geometry allow for efficient derivatization, making it an ideal intermediate in the synthesis of complex organic molecules. This compound can undergo various chemical reactions, such as substitution, addition, and coupling reactions, to introduce specific functional groups or modifications, leading to the creation of novel compounds with tailored properties.Furthermore, 4-((1H-Pyrazol-1-yl)methyl)benzonitrile can participate in key synthetic transformations, such as Suzuki-Miyaura cross-coupling, Heck coupling, and Buchwald-Hartwig amination reactions. These reactions enable the incorporation of aryl and heteroaryl groups into the molecule, expanding the chemical diversity and potential applications of the final products. The versatile nature of this compound makes it a valuable tool for synthetic chemists seeking to access a wide range of structurally diverse compounds for various applications in the fields of medicine, agriculture, and materials science.