Home Carboxys Ethyl 5-amino-4-cyano-1-(4-fluorophenyl)pyrazole-3-carboxylate

Ethyl 5-amino-4-cyano-1-(4-fluorophenyl)pyrazole-3-carboxylate

CAS No.:
1001665-65-1
Catalog Number:
AG00014K
Molecular Formula:
C13H11FN4O2
Molecular Weight:
274.2504
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$75
- +
5g
98%
In Stock USA
United States
$225
- +
25g
98%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG00014K
Chemical Name:
Ethyl 5-amino-4-cyano-1-(4-fluorophenyl)pyrazole-3-carboxylate
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
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  
Properties