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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, 5-amino-1-(phenylmethyl)-

N#Cc1cnn(c1N)Cc1ccccc1 Request for Quotation
Chemical Name: 1H-Pyrazole-4-carbonitrile, 5-amino-1-(phenylmethyl)-
CAS Number: 91091-13-3
Product Number: AG00IGHA(AGN-PC-0JUJ1H)
Synonyms:
MDL No:
Molecular Formula: C11H10N4
Molecular Weight: 198.2239

Identification/Properties

Properties
BP:
444.421 °C at 760 mmHg
Computed Properties
Molecular Weight:
198.229g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
198.091g/mol
Monoisotopic Mass:
198.091g/mol
Topological Polar Surface Area:
67.6A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
251
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


5-Amino-1-benzyl-1H-pyrazole-4-carbonitrile is a versatile compound that finds wide application in chemical synthesis due to its unique reactivity and functional groups. 1. Nucleophilic Substitution: The amino group on the pyrazole ring of 5-Amino-1-benzyl-1H-pyrazole-4-carbonitrile allows it to act as a nucleophile in various reactions. It can participate in substitution reactions with electrophiles, leading to the formation of new carbon-nitrogen bonds.2. Cross-Coupling Reactions: The benzyl group in 5-Amino-1-benzyl-1H-pyrazole-4-carbonitrile can serve as a handle for palladium-catalyzed cross-coupling reactions. This enables the synthesis of complex organic molecules by connecting different fragments together.3. Ring-Forming Reactions: The presence of both an amino group and a nitrile group in 5-Amino-1-benzyl-1H-pyrazole-4-carbonitrile makes it a valuable building block for ring-forming reactions. These reactions can lead to the formation of heterocyclic compounds with diverse structures and functionalities.4. Medicinal Chemistry: 5-Amino-1-benzyl-1H-pyrazole-4-carbonitrile and its derivatives have shown promise in medicinal chemistry research. Their ability to interact with biological targets and their potential for drug development make them valuable tools for synthesizing new pharmaceutical agents.5. Material Science: In the field of material science, 5-Amino-1-benzyl-1H-pyrazole-4-carbonitrile can be used as a precursor for the synthesis of functional materials. By incorporating this compound into polymer frameworks or surface coatings, unique properties can be imparted to the resulting materials.By harnessing the reactivity and versatility of 5-Amino-1-benzyl-1H-pyrazole-4-carbonitrile in chemical synthesis, researchers can explore a wide range of applications in organic chemistry, medicinal chemistry, and material science.