2,4-Dihydro-5-methyl-2-(4-methylphenyl)-3H-pyrazol-3-one

Modify Date: 2025-09-11 10:41:44

2,4-Dihydro-5-methyl-2-(4-methylphenyl)-3H-pyrazol-3-one structure	Common Name	2,4-Dihydro-5-methyl-2-(4-methylphenyl)-3H-pyrazol-3-one
	CAS Number	86-92-0	Molecular Weight	188.226
	Density	1.1±0.1 g/cm3	Boiling Point	365.1±21.0 °C at 760 mmHg
	Molecular Formula	C₁₁H₁₂N₂O	Melting Point	129 °C
	MSDS	USA	Flash Point	174.6±22.1 °C

Name	2,4-Dihydro-5-methyl-2-(4-methylphenyl)-3H-pyrazol-3-one
Synonym	More Synonyms

Density	1.1±0.1 g/cm3
Boiling Point	365.1±21.0 °C at 760 mmHg
Melting Point	129 °C
Molecular Formula	C₁₁H₁₂N₂O
Molecular Weight	188.226
Flash Point	174.6±22.1 °C
Exact Mass	188.094955
PSA	32.67000
LogP	0.90
Vapour Pressure	0.0±0.8 mmHg at 25°C
Index of Refraction	1.595
InChIKey	IOQOLGUXWSBWHR-UHFFFAOYSA-N
SMILES	CC1=NN(c2ccc(C)cc2)C(=O)C1

MSDS(Chinese)

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UQ9680000

CHEMICAL NAME :: 2-Pyrazolin-5-one, 3-methyl-1-p-tolyl-

CAS REGISTRY NUMBER :: 86-92-0

LAST UPDATED :: 199709

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C11-H12-N2-O

MOLECULAR WEIGHT :: 188.25

WISWESSER LINE NOTATION :: T5NNV DHJ BR D1& E1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 7450 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Skin and Appendages - hair

REFERENCE :: LONZA# Personal Communication from LONZA Ltd., CH-4002, Basel, Switzerland Volume(issue)/page/year: 26APR1982

Hazard Codes	Xn
Risk Phrases	22
RTECS	UQ9680000
HS Code	2933199090

4-Methylphenylh...

CAS#:637-60-5

Ethyl acetoacetate

CAS#:141-97-9

2,4-Dihydro-5-m...

CAS#:86-92-0

Literature: Tetrahedron Letters, , vol. 53, # 49 p. 6650 - 6653

4-Iodotoluene

CAS#:624-31-7

3-methyl-2-pyra...

CAS#:108-26-9

~77%

2,4-Dihydro-5-m...

CAS#:86-92-0

Literature: Xu, Xiu-Hua; Wang, Xin; Liu, Guo-Kai; Tokunaga, Etsuko; Shibata, Norio Organic Letters, 2012 , vol. 14, # 10 p. 2544 - 2547

Ethyl acetoacetate

CAS#:141-97-9

4-Methylphenylh...

CAS#:539-44-6

~64%

2,4-Dihydro-5-m...

CAS#:86-92-0

Literature: Jing, Lingling; Wang, Liang; Zhao, Yinglan; Tan, Rui; Xing, Xiumei; Liu, Ting; Huang, Wencai; Luo, Youfu; Li, Zicheng Journal of Chemical Research, 2012 , vol. 36, # 12 p. 691 - 696

Precursor 5
CAS#:637-60-5 4-Methylphenylh... CAS#:141-97-9 Ethyl acetoacetate CAS#:624-31-7 4-Iodotoluene CAS#:108-26-9 3-methyl-2-pyra...
CAS#:539-44-6 4-Methylphenylh...
DownStream 2
CAS#:350997-70-5 5-CHLORO-3-METH... CAS#:73097-75-3 4-acetyl-5-meth...

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%

Name: Inhibition of amyloid beta (1 to 40 residues) (unknown origin) aggregation incubated ...
Source: ChEMBL
Target: Amyloid-beta precursor protein
External Id: CHEMBL3744471

Name: Discovery of Small Molecules to Inhibit Human Cytomegalovirus Nuclear Egress
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: HCMV UL50
External Id: HMS1262

Name: Inhibition of N-alpha-biotinyl-amyloid beta (1 to 42 residues) (unknown origin) oligo...
Source: ChEMBL
Target: Amyloid-beta precursor protein
External Id: CHEMBL3744473

Name: Inhibition of amyloid beta (1 to 40 residues) (unknown origin) aggregation at 25 uM i...
Source: ChEMBL
Target: Amyloid-beta precursor protein
External Id: CHEMBL3744472

Name: Chemical Probes of Kaposi's Sarcoma Herpes Virus Latent Infection
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: ORF 73 [Human herpesvirus 8 type M]
External Id: HMS791

Name: High-throughput screen for inhibitors of the GIV GBA-motif interaction with Galpha-i ...
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS1303

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: Cell-based high throughput primary assay to identify activators of GPR151
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL
External Id: GPR151_PHUNTER_AG_LUMI_1536_1X%ACT

Name: AlphaScreen-based biochemical high throughput primary assay to identify activators of...
Source: The Scripps Research Institute Molecular Screening Center
Target: N/A
External Id: FBW7_ACT_ALPHA_1536_1X%ACT PRUN

Name: AlphaScreen-based biochemical high throughput primary assay to identify inhibitors of...
Source: The Scripps Research Institute Molecular Screening Center
External Id: MITF_INH_Alpha_1536_1X%INH PRUN

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EINECS 201-708-4

5-methyl-2-(4-methylphenyl)-4H-pyrazol-3-one

MFCD00035708

5-Methyl-2-(4-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one

2,4-Dihydro-5-methyl-2-(4-methylphenyl)-3H-pyrazol-3-one