1-(3-Methyl-1-phenyl-1H-pyrazol-5-yl)piperazine

Basic Information

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CAS Number

401566-79-8

Molecular Formula

C14H18N4

Molecular Weight

242.33 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Boiling Point

429 ºC

Flash Point

213 ºC

SMILES

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CC1=NN(C2=CC=CC=C2)C(N3CCNCC3)=C1

InChI

InChI=1S/C14H18N4/c1-12-11-14(17-9-7-15-8-10-17)18(16-12)13-5-3-2-4-6-13/h2-6,11,15H,7-10H2,1H3

InChIKey

FBCUUXMVVOANMV-UHFFFAOYSA-N

LogP

1.59032

Topological Polar Surface Area

33.09 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

259

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

1-(3-Methyl-1-phenyl-1H-pyrazol-5-yl)piperazine
1-(3-methyl-1-phenyl-1H-pyrazole-5-yl) piprazine
1-(3-Methyl-1-phenyl-5-pyrazolyl)Piperazine
1-(5-methyl-2-phenylpyrazol-3-yl)piperazine
PIPERAZINE, 1-(3-METHYL-1-PHENYL-1H-PYRAZOL-5-YL)-
1-(3-Methyl-1-phenyl-5-pyrazolyl)piperazine
AK137365
FBCUUXMVVOANMV-UHFFFAOYSA-N
BCP12046
3018AH
SY045781
C132
AX8258933
ST24037261
1-(3-Methyl-1-phenyl-1H-pyrazole-5-yl)piperazine
Piperazine
Teneligliptin Intermediate
1-(3-methyl-1-phenyl-1H-pyrazol-5-yl)piperazine

MDL Number

MFCD22398471

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 1-(3-Methyl-1-phenyl-1H-pyrazol-5-yl)piperazine (CAS: 401566-79-8)?

1-(3-Methyl-1-phenyl-1H-pyrazol-5-yl)piperazine has a solid crystalline form. Its molecular weight is approximately 324.34 g/mol. It is slightly soluble in water but soluble in organic solvents such as ethanol and dichloromethane. Chemically, it is stable under normal conditions but can react with strong acids or bases. It is not flammable and has a melting point around 180-185°C.

How is 1-(3-Methyl-1-phenyl-1H-pyrazol-5-yl)piperazine (CAS: 401566-79-8) typically synthesized?

1-(3-Methyl-1-phenyl-1H-pyrazol-5-yl)piperazine is typically synthesized via a multistep process involving the condensation of 3-methyl-1-phenyl-1H-pyrazole and piperazine. Commonly, this is achieved using reagents like N,N'-carbonyldiimidazole as a coupling agent, with yields around 70-80%. The process requires careful temperature control and the use of appropriate catalysts to ensure high selectivity and purity.

What industries use 1-(3-Methyl-1-phenyl-1H-pyrazol-5-yl)piperazine (CAS: 401566-79-8)?

1-(3-Methyl-1-phenyl-1H-pyrazol-5-yl)piperazine is used in the pharmaceutical industry for its potential as a bioactive compound. It also finds applications in the polymer industry for its structural features and in the sensor industry due to its chemical reactivity. Additionally, it has potential uses in semiconductor manufacturing processes as a dopant or additive.

What precautions should be taken when handling 1-(3-Methyl-1-phenyl-1H-pyrazol-5-yl)piperazine (CAS: 401566-79-8)?

When handling 1-(3-Methyl-1-phenyl-1H-pyrazol-5-yl)piperazine, it is important to wear appropriate personal protective equipment (PPE) such as gloves, safety glasses, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up immediately using appropriate procedures and waste should be disposed of according to local regulations. Always refer to the safety data sheet (SDS) for detailed handling instructions.