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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-Pyrazol-5-ol, 1-methyl-3-(trifluoromethyl)-

FC(c1cc(n(n1)C)O)(F)F Request for Quotation
Chemical Name: 1H-Pyrazol-5-ol, 1-methyl-3-(trifluoromethyl)-
CAS Number: 122431-37-2
Product Number: AG001782(AGN-PC-0O0EHR)
Synonyms:
MDL No:
Molecular Formula: C5H5F3N2O
Molecular Weight: 166.1012

Identification/Properties

Computed Properties
Molecular Weight:
166.103g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
0
Exact Mass:
166.035g/mol
Monoisotopic Mass:
166.035g/mol
Topological Polar Surface Area:
32.3A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
220
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:
Danger
UN#:
2811
Hazard Statements:
H301-H315-H319-H335
Precautionary Statements:
P261-P301+P310-P305+P351+P338
Class:
6.1
Packing Group:
Ⅲ

NMR Spectrum

Other Analytical Data

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Chemical Structure


1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-ol is a versatile compound widely utilized in chemical synthesis due to its unique structural properties and reactivity. In organic synthesis, this compound serves as a valuable building block for the preparation of various pharmaceuticals, agrochemicals, and fine chemicals. Its distinct trifluoromethyl group enhances the compound's lipophilicity and can significantly influence the biological activity of the resulting molecules. Additionally, the pyrazole ring moiety confers desirable physicochemical properties, making it a valuable component in drug discovery and development processes. Its involvement in heterocyclic chemistry further expands its application scope, enabling the synthesis of diverse compounds with potentially beneficial properties.