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Ethyl 5-amino-4-cyano-1-p-tolylpyrazole-3-carboxylate

CAS No.:
152992-58-0
Catalog Number:
AG003QC7
Molecular Formula:
C14H14N4O2
Molecular Weight:
270.2866
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:
AG003QC7
Chemical Name:
Ethyl 5-amino-4-cyano-1-p-tolylpyrazole-3-carboxylate
CAS Number:
152992-58-0
Molecular Formula:
C14H14N4O2
Molecular Weight:
270.2866
MDL Number:
MFCD09835731
IUPAC Name:
ethyl 5-amino-4-cyano-1-(4-methylphenyl)pyrazole-3-carboxylate
InChI:
InChI=1S/C14H14N4O2/c1-3-20-14(19)12-11(8-15)13(16)18(17-12)10-6-4-9(2)5-7-10/h4-7H,3,16H2,1-2H3
InChI Key:
OFGRJFITISXAMD-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nn(c(c1C#N)N)c1ccc(cc1)C
Properties
Complexity:
397  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.112g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
270.292g/mol
Monoisotopic Mass:
270.112g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
93.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties