3-Methyl-1-phenyl-4-(piperidinomethylene)-2-pyrazolin-5-one

Modify Date: 2025-09-09 13:53:49

3-Methyl-1-phenyl-4-(piperidinomethylene)-2-pyrazolin-5-one Structure
3-Methyl-1-phenyl-4-(piperidinomethylene)-2-pyrazolin-5-one structure
Common Name 3-Methyl-1-phenyl-4-(piperidinomethylene)-2-pyrazolin-5-one
CAS Number 5496-04-8 Molecular Weight 269.34200
Density 1.18g/cm3 Boiling Point 375.5ºC at 760 mmHg
Molecular Formula C16H19N3O Melting Point N/A
MSDS N/A Flash Point 180.9ºC

 Names

Name (4E)-5-methyl-2-phenyl-4-(piperidin-1-ylmethylidene)pyrazol-3-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.18g/cm3
Boiling Point 375.5ºC at 760 mmHg
Molecular Formula C16H19N3O
Molecular Weight 269.34200
Flash Point 180.9ºC
Exact Mass 269.15300
PSA 35.91000
LogP 2.21740
Index of Refraction 1.623
InChIKey CPRWWCPKEGAJNJ-NTCAYCPXSA-N
SMILES CC1=NN(c2ccccc2)C(=O)C1=CN1CCCCC1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UQ9651000
CHEMICAL NAME :
2-Pyrazolin-5-one, 3-methyl-1-phenyl-4-(piperidinomethylene)-
CAS REGISTRY NUMBER :
5496-04-8
BEILSTEIN REFERENCE NO. :
0616565
LAST UPDATED :
199612
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C16-H19-N3-O
MOLECULAR WEIGHT :
269.38
WISWESSER LINE NOTATION :
T6NTJ A1U- DT5NNVYJ BR& 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 :
>4 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CHTPBA Chimica Therapeutica. (Paris, France) V.1-8, 1965-73. For publisher information, see EJMCA5. Volume(issue)/page/year: 3,17,1968
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>2 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CHTPBA Chimica Therapeutica. (Paris, France) V.1-8, 1965-73. For publisher information, see EJMCA5. Volume(issue)/page/year: 3,17,1968
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
500 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - analgesia Biochemical - Metabolism (Intermediary) - effect on inflammation or mediation of inflammation
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 19,1721,1969

 Safety Information

HS Code 2933990090

 Precursor & DownStream

Precursor  0

DownStream  2

 Customs

HS Code 2933990090
Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

5-methyl-2-phenyl-4-piperidin-1-ylmethylene-2,4-dihydro-pyrazol-3-one
5-Oxo-3-methyl-4-piperidinomethylen-1-phenyl-4,5-dihydro-pyrazol
AmbscPOD_15/0510
1-Phenyl-3-methyl-4-piperidinomethylenpyrazolon-5
3-Methyl-4-piperidinomethylen-1-phenyl-pyrazolon-(5)
2,4-dihydro-5-methyl-2-phenyl-4-(1-piperidinylmethylene)-3H-pyrazol-3-one
3-Methyl-1-phenyl-4-(piperidinomethylene)-2-pyrazolin-5-one
1-phenyl-3-methyl-4-piperidinomethylene-5-pyrazolone
2-Pyrazolin-5-one,3-methyl-1-phenyl-4-(piperidinomethylene)
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