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Home Halogens 5-Amino-1-(4-chlorophenyl)-1h-pyrazole-4-carbonitrile

5-Amino-1-(4-chlorophenyl)-1h-pyrazole-4-carbonitrile

CAS No.:
51516-67-7
Catalog Number:
AG003MCC
Molecular Formula:
C10H7ClN4
Molecular Weight:
218.6424
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$58
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Product Description
Catalog Number:
AG003MCC
Chemical Name:
5-Amino-1-(4-chlorophenyl)-1h-pyrazole-4-carbonitrile
CAS Number:
51516-67-7
Molecular Formula:
C10H7ClN4
Molecular Weight:
218.6424
MDL Number:
MFCD13195764
IUPAC Name:
5-amino-1-(4-chlorophenyl)pyrazole-4-carbonitrile
InChI:
InChI=1S/C10H7ClN4/c11-8-1-3-9(4-2-8)15-10(13)7(5-12)6-14-15/h1-4,6H,13H2
InChI Key:
WIWSALMJHPGFDY-UHFFFAOYSA-N
SMILES:
N#Cc1cnn(c1N)c1ccc(cc1)Cl
Properties
Complexity:
266  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.036g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
218.644g/mol
Monoisotopic Mass:
218.036g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Literature
Title Journal
Synthesis of N-aryl-5-amino-4-cyanopyrazole derivatives as potent xanthine oxidase inhibitors. European journal of medicinal chemistry 20080401
Properties