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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)-

2-(1H-pyrazol-4-yl)acetic acid

OC(=O)Cc1c[nH]nc1 Request for Quotation
Chemical Name: 2-(1H-pyrazol-4-yl)acetic acid
CAS Number: 934172-55-1
Product Number: AG00H350(AGN-PC-02VEI1)
Synonyms:
MDL No:
Molecular Formula: C5H6N2O2
Molecular Weight: 126.1133

Identification/Properties

Computed Properties
Molecular Weight:
126.115g/mol
XLogP3:
-0.3
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
126.043g/mol
Monoisotopic Mass:
126.043g/mol
Topological Polar Surface Area:
66A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
116
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


2-(1H-Pyrazol-4-yl)acetic acid is a versatile compound commonly used in chemical synthesis for a variety of applications. This compound serves as a crucial building block in the production of various pharmaceuticals, agrochemicals, and materials due to its unique chemical properties. In organic synthesis, 2-(1H-Pyrazol-4-yl)acetic acid acts as a key intermediate in the creation of complex molecules through acylation, amidation, and other synthetic transformations. Its reactive functional groups enable efficient and selective derivatization, making it a valuable tool for the construction of diverse molecular architectures. In medicinal chemistry, this compound is employed in the preparation of drug candidates with promising biological activities, including anti-inflammatory, antiviral, and anticancer properties. Furthermore, in the field of materials science, 2-(1H-Pyrazol-4-yl)acetic acid contributes to the synthesis of advanced polymers, coatings, and functional materials with tailored properties. Its role in chemical synthesis underscores its significance as a key component in the creation of novel compounds with potential applications across various industries.