1-methyl-3-trifluoromethyl-2-pyrazolin-5-one

Modify Date: 2025-08-22 16:43:04

1-methyl-3-trifluoromethyl-2-pyrazolin-5-one Structure
1-methyl-3-trifluoromethyl-2-pyrazolin-5-one structure
Common Name 1-methyl-3-trifluoromethyl-2-pyrazolin-5-one
CAS Number 1481-02-3 Molecular Weight 166.10100
Density 1.5 g/cm3 Boiling Point 101.6ºC at 760 mmHg
Molecular Formula C5H5F3N2O Melting Point 178 °C
MSDS USA Flash Point 15.3ºC

 Names

Name 2-methyl-5-(trifluoromethyl)-4H-pyrazol-3-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.5 g/cm3
Boiling Point 101.6ºC at 760 mmHg
Melting Point 178 °C
Molecular Formula C5H5F3N2O
Molecular Weight 166.10100
Flash Point 15.3ºC
Exact Mass 166.03500
PSA 32.67000
LogP 0.14030
Vapour Pressure 0.029mmHg at 25°C
Index of Refraction 1.53
InChIKey SYHYFYSGUQRNRS-UHFFFAOYSA-N
SMILES CN1N=C(C(F)(F)F)CC1=O

 Safety Information

Hazard Codes Xi: Irritant;
Risk Phrases 25
Safety Phrases S22-S24/25
HS Code 2933199090

 Customs

HS Code 2933199090
Summary 2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Bioassay

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Name: Primary cell-based high-throughput screening assay for identification of compounds th...
Source: Johns Hopkins Ion Channel Center
Target: regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id: JHICC_RGS_Act_HTS
Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
Name: uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
Name: A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS979
Name: High throughput fluorescence intensity-based biochemical assay to screen for small mo...
Source: University of Pittsburgh Molecular Library Screening Center
Target: furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens]
External Id: MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.
Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
Name: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
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 Synonyms

1-methyl-3-trifluoromethyl-4H-pyrazol-5-one
MFCD00051654
1-METHYL-3-TRIFLUOROMETHYL-2-PYRAZOLIN-5-ONE
2-methyl-5-trifluoromethyl-2,4-dihydro-pyrazol-3-one
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