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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)-

5-(4-chlorophenyl)-1-methylpyrazole-3-carboxylic acid

Clc1ccc(cc1)c1cc(nn1C)C(=O)O Request for Quotation
Chemical Name: 5-(4-chlorophenyl)-1-methylpyrazole-3-carboxylic acid
CAS Number: 957513-70-1
Product Number: AG00IJFT(AGN-PC-0LU5BX)
Synonyms:
MDL No:
Molecular Formula: C11H9ClN2O2
Molecular Weight: 236.6544

Identification/Properties

Computed Properties
Molecular Weight:
236.655g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
236.035g/mol
Monoisotopic Mass:
236.035g/mol
Topological Polar Surface Area:
55.1A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
267
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#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


5-(4-Chlorophenyl)-1-methyl-1H-pyrazole-3-carboxylic acid is a versatile compound that finds application in chemical synthesis as a key building block. Due to its unique structure and functional groups, this compound is commonly used as a precursor in the synthesis of various pharmaceuticals, agrochemicals, and other fine chemicals. Its presence of a pyrazole ring and carboxylic acid group makes it a valuable intermediate in the production of heterocyclic compounds. Additionally, the chlorophenyl moiety enables specific modifications and functionalization, allowing for the creation of diverse molecular structures. This compound plays a crucial role in the development of new synthetic routes and the exploration of novel chemical entities. Its involvement in chemical synthesis highlights its significance in advancing scientific research and product development within the chemical industry.