4-Chloro-3-ethyl-1-methyl-N-[4-(2-methyl-2-propanyl)benzyl]-1H-pyrazole-5-carboxamide

Basic Information

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CAS Number

119168-77-3

Molecular Formula

C18H24ClN3O

Molecular Weight

333.86 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

61-65°C

Boiling Point

468.4°Cat760mmHg

Flash Point

237.1°C

Refractive Index

1.5790 (estimate)

SMILES

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CCc1c(c(n(n1)C)C(=O)NCc2ccc(cc2)C(C)(C)C)Cl

InChI

InChI=1S/C18H24ClN3O/c1-6-14-15(19)16(22(5)21-14)17(23)20-11-12-7-9-13(10-8-12)18(2,3)4/h7-10H,6,11H2,1-5H3,(H,20,23)

InChIKey

ZZYSLNWGKKDOML-UHFFFAOYSA-N

LogP

3.863400000000003

Topological Polar Surface Area

46.92 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

402

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Hazard Class

Class 6.1(b) Class 6.1(b)

Toxicity

LD50 in male, female rats (mg/kg): 595, 997 orally; >2000, >2000 dermally; LC50 in male rats (mg/m3): 2660 by inhalation (Inoue, Fukuchi)

Synonyms & References

English

N-(4-(tert-Butyl)benzyl)-4-chloro-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide
Comanche
Masai
Oscar
Pyranica
N-(4-tert-butylbenzyl)-4-chloro-3-ethyl-1-methyl-5-pyrazolemethylamide
4-chloro-N-(4-(1,1-dimethylethyl)phenyl)methyl-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide
4-Chloro-N-(4-tert-butylbenzyl)-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide
Tebufenpyrad
4-chloro-N-[[4-(1,1-dimethylethyl)phenyl]methyl]-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide
N-(4-tert-butylbenzyl)-4-chloro-3-
N-[(4-tert-butylphenyl)methyl]-4-chloro-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide
N-[(4-tert-butylphenyl)methyl]-4-chloro-5-ethyl-2-methylpyrazole-3-carboxamide
mk239
ac801757
comanché
Fenpyrad
Hsdb 7271
OSCAR
MASAI
PYRANICA
COMANCHE
TEBUFENPYRAD

MDL Number

MFCD01632408

Customs Code

2933199012

FAQ

What regulatory guidelines apply to 4-Chloro-3-ethyl-1-methyl-N-[4-(2-methyl-2-propanyl)benzyl]-1H-pyrazole-5-carboxamide (CAS: 119168-77-3)?

The compound 4-Chloro-3-ethyl-1-methyl-N-[4-(2-methyl-2-propanyl)benzyl]-1H-pyrazole-5-carboxamide (CAS: 119168-77-3) falls under the regulatory purview of the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) for its hazard communication. In Europe, it is subject to the REACH regulations. Additionally, the FDA and EPA may have specific requirements for its handling and use in the United States. Ensuring compliance with these regulations is crucial for safe handling and environmental protection.

Are there alternatives to 4-Chloro-3-ethyl-1-methyl-N-[4-(2-methyl-2-propanyl)benzyl]-1H-pyrazole-5-carboxamide (CAS: 119168-77-3) in synthesis?

While 4-Chloro-3-ethyl-1-methyl-N-[4-(2-methyl-2-propanyl)benzyl]-1H-pyrazole-5-carboxamide (CAS: 119168-77-3) is a specialized compound, alternatives may include structurally similar compounds like pyrazoles with different substituents. In synthesis, researchers often use analogous compounds or explore alternative reagents such as other carboxamides, amides, or chlorinated derivatives to achieve similar functionality.

What is the market or research trend for 4-Chloro-3-ethyl-1-methyl-N-[4-(2-methyl-2-propanyl)benzyl]-1H-pyrazole-5-carboxamide (CAS: 119168-77-3)?

The market and research trends for 4-Chloro-3-ethyl-1-methyl-N-[4-(2-methyl-2-propanyl)benzyl]-1H-pyrazole-5-carboxamide (CAS: 119168-77-3) are driven by its applications in pharmaceuticals and agrochemicals. Emerging research focuses on its potential as a therapeutic agent or as an intermediate in the synthesis of more complex molecules. Market trends indicate an increasing demand for customized chemical intermediates with specific biological activities.

How should waste containing 4-Chloro-3-ethyl-1-methyl-N-[4-(2-methyl-2-propanyl)benzyl]-1H-pyrazole-5-carboxamide (CAS: 119168-77-3) be handled?

Waste containing 4-Chloro-3-ethyl-1-methyl-N-[4-(2-methyl-2-propanyl)benzyl]-1H-pyrazole-5-carboxamide (CAS: 119168-77-3) should be collected in appropriate containers and stored under controlled conditions to prevent degradation or contamination. Incineration or professional waste disposal services are recommended. Employers should follow EPA and local environmental protection agency guidelines to ensure safe disposal and minimize environmental impact.