Home Amines 1001665-65-1
1001665-65-1,MFCD09835734
Catalog No.:AA00011S
1001665-65-1 | 1H-Pyrazole-3-carboxylic acid, 5-amino-4-cyano-1-(4-fluorophenyl)-, ethyl ester
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1g
98%
in stock  
$60.00
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5g
98%
in stock  
$200.00
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25g
98%
in stock  
$534.00
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  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00011S
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 5-amino-4-cyano-1-(4-fluorophenyl)-, ethyl ester
CAS Number:
1001665-65-1
Molecular Formula:
C13H11FN4O2
Molecular Weight:
274.2504
MDL Number:
MFCD09835734
IUPAC Name:
ethyl 5-amino-4-cyano-1-(4-fluorophenyl)pyrazole-3-carboxylate
InChI:
InChI=1S/C13H11FN4O2/c1-2-20-13(19)11-10(7-15)12(16)18(17-11)9-5-3-8(14)4-6-9/h3-6H,2,16H2,1H3
InChI Key:
UUTVXASIJAMACY-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nn(c(c1C#N)N)c1ccc(cc1)F
Properties
Computed Properties
 
Complexity:
402  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.087g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
274.255g/mol
Monoisotopic Mass:
274.087g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
93.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

Synonyms
 
1001665-65-1 
Ethyl 5-amino-4-cyano-1-(4-fluorophenyl)-1H-pyrazole-3-carboxylate 
AKOS015854723 
RTR-000054 
AJ-96062 
CJ-19428 
AX8230606 
TR-000054 
ST24024986 
Z6239 
A-4036 
I05-730 
ETHYL 5-AMINO-4-CYANO-1-(4-FLUOROPHENYL)PYRAZOLE-3-CARBOXYLATE 
1H-Pyrazole-3-carboxylic acid, 5-amino-4-cyano-1-(4-fluorophenyl)-, ethyl ester 
C13H11FN4O2 
Ethyl5-amino-4-cyano-1-(4-fluorophenyl)-1H-pyrazole-3-carboxylate 
ACMC-2097n2 
SCHEMBL13664215 
CTK3J8596 
DTXSID20674868 
ANW-14172 
MFCD09835734 
ZINC38537315 
Literature
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