Home Carboxys Ethyl 5-amino-4-cyano-1-phenylpyrazole-3-carboxylate

Ethyl 5-amino-4-cyano-1-phenylpyrazole-3-carboxylate

CAS No.:
93764-93-3
Catalog Number:
AG00612S
Molecular Formula:
C13H12N4O2
Molecular Weight:
256.2600
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$150
- +
5g
98%
In Stock USA
United States
$450
- +
10g
98%
In Stock USA
United States
$750
- +
Product Description
Catalog Number:
AG00612S
Chemical Name:
Ethyl 5-amino-4-cyano-1-phenylpyrazole-3-carboxylate
CAS Number:
93764-93-3
Molecular Formula:
C13H12N4O2
Molecular Weight:
256.2600
MDL Number:
MFCD00197038
IUPAC Name:
ethyl 5-amino-4-cyano-1-phenylpyrazole-3-carboxylate
InChI:
InChI=1S/C13H12N4O2/c1-2-19-13(18)11-10(8-14)12(15)17(16-11)9-6-4-3-5-7-9/h3-7H,2,15H2,1H3
InChI Key:
IEBFWSOLRJKQQN-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nn(c(c1C#N)N)c1ccccc1
Properties
Complexity:
372  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.096g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
256.265g/mol
Monoisotopic Mass:
256.096g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
93.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties