Home Amines 1160514-60-2
1160514-60-2,MFCD00178741
Catalog No.:AA000BE7
1160514-60-2 | 1H-Pyrazole-4-carboxylic acid, 1-[4-[(2,3,3-trichloro-1-oxo-2-propen-1-yl)amino]phenyl]-5-(trifluoromethyl)-, ethyl ester
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1mg
≥98%
in stock  
$96.00   $67.00
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5mg
98%
in stock  
$179.00   $125.00
- +
10mg
98%
in stock  
$258.00   $180.00
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25mg
98%
in stock  
$473.00   $331.00
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50mg
98%
in stock  
$761.00   $533.00
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100mg
98%
in stock  
$1,270.00   $889.00
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  • Technical Information
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Technical Information
Catalog Number:
AA000BE7
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 1-[4-[(2,3,3-trichloro-1-oxo-2-propen-1-yl)amino]phenyl]-5-(trifluoromethyl)-, ethyl ester
CAS Number:
1160514-60-2
Molecular Formula:
C16H11Cl3F3N3O3
Molecular Weight:
456.6310
MDL Number:
MFCD00178741
IUPAC Name:
ethyl 1-[4-(2,3,3-trichloroprop-2-enoylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate
InChI:
InChI=1S/C16H11Cl3F3N3O3/c1-2-28-15(27)10-7-23-25(12(10)16(20,21)22)9-5-3-8(4-6-9)24-14(26)11(17)13(18)19/h3-7H,2H2,1H3,(H,24,26)
InChI Key:
RZHGONNSASQOAY-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnn(c1C(F)(F)F)c1ccc(cc1)NC(=O)C(=C(Cl)Cl)Cl
Properties
Computed Properties
 
Complexity:
621  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
454.982g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
456.627g/mol
Monoisotopic Mass:
454.982g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8  

Synonyms
 
Pyr3 
1160514-60-2 
NCGC00370970-01 
HY-108465 
RT-017534 
B7494 
CS-0028846 
J-003374 
ethyl 1-[4-(trichloroprop-2-enamido)phenyl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate 
1-[4-(2,3,3-Trichloro-acryloylamino)-phenyl]-5-trifluoromethyl-1H-pyrazole-4-carboxylic acid ethyl ester 
1-[4-[(2,3,3-Trichloro-1-oxo-2-propen-1-yl)amino]phenyl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid 
1H-Pyrazole-4-carboxylic acid, 1-[4-[(2,3,3-trichloro-1-oxo-2-propen-1-yl)amino]phenyl]-5-(trifluoromethyl)-, ethyl ester 
GTPL4293 
Ethyl 1-{4-[(2,3,3-trichloroacryloyl)amino]phenyl}-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate 
Ethyl-1-(4-(2,3,3-trichloroacrylamide)phenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate 
D0T7GC 
RZHGONNSASQOAY-UHFFFAOYSA-N 
SCHEMBL12274132 
CTK8E8091 
AOB5992 
DTXSID60719181 
Pyr3, >=98% (HPLC) 
ZINC44607934 
AKOS024457787 
Literature

Title: High-speed microwave-assisted synthesis of the trifluoromethylpyrazol-derived canonical transient receptor potential (TRPC) channel inhibitor Pyr3.

Journal: ChemMedChem 20091101

Title: Selective and direct inhibition of TRPC3 channels underlies biological activities of a pyrazole compound.

Journal: Proceedings of the National Academy of Sciences of the United States of America 20090331

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