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Sedaxane

Sedaxane structure

CAS No:
874967-67-6
Formula:
C18H19F2N3O
Chemical Name:
Sedaxane
Synonyms:
1H-Pyrazole-4-carboxamide,N-(2-[1,1′-bicyclopropyl]-2-ylphenyl)-3-(difluoromethyl)-1-methyl-;N-(2-[1,1′-Bicyclopropyl]-2-ylphenyl)-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide;N-[2-(2-(Cyclopropyl)cyclopropyl)phenyl]-3-difluoromethyl-1-methylpyrazole-4-carboxamide;N-[2-(2-Cyclopropylcyclopropyl)phenyl]-3-difluoromethyl-1-methylpyrazole-4-carboxylic acid amide;Sedaxane;N-(2-Bicyclopropyl-2-ylphenyl)-3-difluoromethyl-1-methyl-1H-pyrazole-4-carboxamide;N-[2-[1,1′-Bi(cyclopropyl)-2-yl]phenyl]-1-methyl-3-(difluoromethyl)-1H-pyrazole-4-carboxamide;N-(2-Bicyclopropyl-2-ylphenyl)-3-difluoromethyl-1-methyl-1H-pyrazol-4-carboxylic acid amide;Vibrance;Vibrance 500FS;Fuzuohuanjunan;1135442-04-4;1196799-59-3
Categories:
Organic Chemistry > Amides

Description

N-{2-[1,1'-bi(cyclopropyl)-2-yl]phenyl}-3-(difluoromethyl)-1-methyl-1pyrazole-4-carboxamide is an aromatic amide obtained by formal condensation of the carboxy group of 3-(difluoromethyl)-1-methylpyrazole-4-carboxylic acid with the amino group of 2-[1,1'-bi(cyclopropyl)-2-yl]aniline. It is an aromatic amide, an organofluorine compound, a member of pyrazoles, a ring assembly and a member of cyclopropanes.

Sedaxane Basic Attributes

Molecular Weight：

331.36

Exact Mass：

331.36

UNII：

UHZ33J8Z9F

DSSTox ID：

DTXSID2058207

Characteristics

PSA：

46.92000

XLogP3：

4.19650

Density：

1.43±0.1 g/cm3

Boiling Point：

397.8±42.0 °C(Predicted)

PKA：

12.23±0.70

Safety Information

Transport codes：

UN 3077 9 / PGIII

hazard class code：

50/53

safety instructions：

60-61

Marks：

GHS Classification：

|Warning|H400 (99.49%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]|P273, P391, and P501|Aggregated GHS information provided by 196 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

N-(2-(1,1'-bicyclopropyl)-2-ylphenyl)-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide

Sedaxane Use and Manufacturing

Use Classification：

Agrochemicals -> Fungicides|Fungicides

Computed Properties

Molecular Weight:331.4
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:331.14961856
Monoisotopic Mass:331.14961856
Topological Polar Surface Area:46.9
Heavy Atom Count:24
Complexity:485
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes