Home Nitros 1-Methyl-4-nitro-3-propyl-(1h)-pyrazole-5-carboxamide

1-Methyl-4-nitro-3-propyl-(1h)-pyrazole-5-carboxamide

CAS No.:
139756-01-7
Catalog Number:
AG001BO0
Molecular Formula:
C8H12N4O3
Molecular Weight:
212.2059
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$259
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Product Description
Catalog Number:
AG001BO0
Chemical Name:
1-Methyl-4-nitro-3-propyl-(1h)-pyrazole-5-carboxamide
CAS Number:
139756-01-7
Molecular Formula:
C8H12N4O3
Molecular Weight:
212.2059
MDL Number:
MFCD02253196
IUPAC Name:
2-methyl-4-nitro-5-propylpyrazole-3-carboxamide
InChI:
InChI=1S/C8H12N4O3/c1-3-4-5-6(12(14)15)7(8(9)13)11(2)10-5/h3-4H2,1-2H3,(H2,9,13)
InChI Key:
BMLPAJIEDKJHSB-UHFFFAOYSA-N
SMILES:
CCCc1nn(c(c1[N+](=O)[O-])C(=O)N)C
UNII:
7Y5R094CF5
Properties
Complexity:
265  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.091g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
212.209g/mol
Monoisotopic Mass:
212.091g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties