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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-carboxylic acid, 1-(1,1-dimethylethyl)-5-methyl-

OC(=O)c1cnn(c1C)C(C)(C)C Request for Quotation
Chemical Name: 1H-Pyrazole-4-carboxylic acid, 1-(1,1-dimethylethyl)-5-methyl-
CAS Number: 288251-51-4
Product Number: AG002WO2(AGN-PC-03MFST)
Synonyms:
MDL No:
Molecular Formula: C9H14N2O2
Molecular Weight: 182.2197

Identification/Properties

Computed Properties
Molecular Weight:
182.223g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
182.106g/mol
Monoisotopic Mass:
182.106g/mol
Topological Polar Surface Area:
55.1A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
210
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


The 1-(tert-Butyl)-5-methyl-1H-pyrazole-4-carboxylic acid, commonly used in chemical synthesis, serves as a key intermediate in the production of various organic compounds. Its versatile nature allows it to be utilized in the synthesis of pharmaceuticals, agrochemicals, and advanced materials. In organic chemistry, this compound plays a crucial role in the formation of diverse molecular structures through its ability to undergo various functional group transformations. Its unique structural properties offer a wide range of applications in the realm of chemical research and development, making it a valuable resource for innovative synthetic pathways and complex molecule construction.