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Home Other Building Blocks 1-Cyanoacetyl-3,5-dimethylpyrazole

1-Cyanoacetyl-3,5-dimethylpyrazole

CAS No.:
36140-83-7
Catalog Number:
AG0032R0
Molecular Formula:
C8H9N3O
Molecular Weight:
163.1766
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$102
- +
5g
97%
1 week
United States
$125
- +
25g
97%
1 week
United States
$448
- +
Product Description
Catalog Number:
AG0032R0
Chemical Name:
1-Cyanoacetyl-3,5-dimethylpyrazole
CAS Number:
36140-83-7
Molecular Formula:
C8H9N3O
Molecular Weight:
163.1766
MDL Number:
MFCD00051954
IUPAC Name:
3-(3,5-dimethylpyrazol-1-yl)-3-oxopropanenitrile
InChI:
InChI=1S/C8H9N3O/c1-6-5-7(2)11(10-6)8(12)3-4-9/h5H,3H2,1-2H3
InChI Key:
DDWZYWSLHBDVGR-UHFFFAOYSA-N
SMILES:
Cc1cc(nn1C(=O)CC#N)C
NSC Number:
95424
Properties
Complexity:
230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.075g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.18g/mol
Monoisotopic Mass:
163.075g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Literature
Title Journal
Synthesis and antioxidant evaluation of some new pyrazolopyridine derivatives. Archiv der Pharmazie 20120201
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties