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Home Nitriles 5-Amino-1-(4-nitrophenyl)-1h-pyrazole-4-carbonitrile

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

CAS No.:
5394-41-2
Catalog Number:
AG00D9K4
Molecular Formula:
C10H7N5O2
Molecular Weight:
229.1949
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$108
- +
5g
97%
In Stock USA
United States
$380
- +
Product Description
Catalog Number:
AG00D9K4
Chemical Name:
5-Amino-1-(4-nitrophenyl)-1h-pyrazole-4-carbonitrile
CAS Number:
5394-41-2
Molecular Formula:
C10H7N5O2
Molecular Weight:
229.1949
MDL Number:
MFCD00052885
IUPAC Name:
5-amino-1-(4-nitrophenyl)pyrazole-4-carbonitrile
InChI:
InChI=1S/C10H7N5O2/c11-5-7-6-13-14(10(7)12)8-1-3-9(4-2-8)15(16)17/h1-4,6H,12H2
InChI Key:
OAPYCPXMCXWPHI-UHFFFAOYSA-N
SMILES:
N#Cc1cnn(c1N)c1ccc(cc1)[N+](=O)[O-]
NSC Number:
1397
Properties
Complexity:
338  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.06g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
229.199g/mol
Monoisotopic Mass:
229.06g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Literature
Title Journal
Synthesis of N-aryl-5-amino-4-cyanopyrazole derivatives as potent xanthine oxidase inhibitors. European journal of medicinal chemistry 20080401
Properties