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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)-

4-bromo-2-ethylpyrazole-3-carboxylic acid

CCn1ncc(c1C(=O)O)Br Request for Quotation
Chemical Name: 4-bromo-2-ethylpyrazole-3-carboxylic acid
CAS Number: 514800-97-6
Product Number: AG00DD1T(AGN-PC-0JTODR)
Synonyms:
MDL No:
Molecular Formula: C6H7BrN2O2
Molecular Weight: 219.0360

Identification/Properties

Computed Properties
Molecular Weight:
219.038g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
217.969g/mol
Monoisotopic Mass:
217.969g/mol
Topological Polar Surface Area:
55.1A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
165
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-Bromo-1-ethyl-1H-pyrazole-5-carboxylic acid is a versatile compound commonly used in chemical synthesis as a key building block for the creation of various organic molecules. Its unique structure and reactivity make it a valuable tool in the production of pharmaceuticals, agrochemicals, and materials.In chemical synthesis, 4-Bromo-1-ethyl-1H-pyrazole-5-carboxylic acid can serve as a precursor for the synthesis of more complex heterocyclic compounds through functional group transformations. By utilizing its bromo group, the compound can undergo various reactions such as nucleophilic substitution, Suzuki coupling, or Heck coupling to introduce different functional groups at the 4-position of the pyrazole ring. This enables the creation of novel compounds with tailored properties and functionalities.Furthermore, the carboxylic acid moiety in 4-Bromo-1-ethyl-1H-pyrazole-5-carboxylic acid offers additional synthetic flexibility, as it can be activated through derivatization to facilitate peptide coupling reactions or serve as a handle for further modification. This versatility allows chemists to access a wide range of chemical space and develop new molecules with potential applications in drug discovery, material science, and beyond.Overall, the application of 4-Bromo-1-ethyl-1H-pyrazole-5-carboxylic acid in chemical synthesis highlights its importance as a strategic building block for the efficient construction of diverse organic compounds with tailored structures and properties. Its utility extends to various fields of chemistry, making it a valuable tool for researchers striving to innovate and create novel molecules for different applications.