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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)-

Methyl 4-bromo-1H-pyrazole-5-carboxylate

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Chemical Name: Methyl 4-bromo-1H-pyrazole-5-carboxylate
CAS Number: 190263-20-8
Product Number: AG01FSD9(AGN-PC-3H603B)
Synonyms:
MDL No:
Molecular Formula:
Molecular Weight:

Identification/Properties

Computed Properties
Molecular Weight:
205.011g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
203.953g/mol
Monoisotopic Mass:
203.953g/mol
Topological Polar Surface Area:
55A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
142
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:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


4-Bromo-1H-pyrazole-5-carboxylic acid methyl ester is a versatile compound that finds wide application in chemical synthesis. Its reactive bromo group allows for further derivatization, making it a valuable building block in the synthesis of various organic compounds. In the field of medicinal chemistry, this compound can be utilized for the synthesis of potential drug candidates. By incorporating the 1H-pyrazole moiety, which is a common structural motif in many pharmaceuticals, into the molecule, researchers can explore the development of new therapeutic agents. The presence of the carboxylic acid ester group further enhances the compound's utility by providing a handle for bioconjugation or facilitating the formation of amide bonds.Furthermore, 4-Bromo-1H-pyrazole-5-carboxylic acid methyl ester can serve as a key intermediate in the synthesis of agrochemicals, dyes, and materials with specific properties. Its structural flexibility and reactivity make it a valuable component in the toolbox of synthetic chemists seeking to design and create novel molecules for various applications.