Home Other Building Blocks 1005558-05-3
1005558-05-3,MFCD04050861
Catalog No.:AA00028Q
1005558-05-3 | 1H-Pyrazole-4-carbonitrile, 1-ethyl-5-methyl-
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Price(USD)
Quantity
  
1g
95%
in stock  
$52.00
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5g
95%
in stock  
$148.00
- +
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Technical Information
Catalog Number:
AA00028Q
Chemical Name:
1H-Pyrazole-4-carbonitrile, 1-ethyl-5-methyl-
CAS Number:
1005558-05-3
Molecular Formula:
C7H9N3
Molecular Weight:
135.1665
MDL Number:
MFCD04050861
IUPAC Name:
1-ethyl-5-methylpyrazole-4-carbonitrile
InChI:
InChI=1S/C7H9N3/c1-3-10-6(2)7(4-8)5-9-10/h5H,3H2,1-2H3
InChI Key:
UUXMDCWZGXWAHL-UHFFFAOYSA-N
SMILES:
Cc1c(cnn1CC)C#N
Properties
Computed Properties
 
Complexity:
158  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.08g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
135.17g/mol
Monoisotopic Mass:
135.08g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  

Synonyms
 
1-ethyl-5-methyl-1H-pyrazole-4-carbonitrile 
1005558-05-3 
STK305554 
AKOS000309841 
MCULE-4205800936 
AJ-37628 
AB1008930 
ST45074556 
Y-1100 
1H-Pyrazole-4-carbonitrile, 1-ethyl-5-methyl- 
null 
CID4774209 
1-ethyl-5-methylpyrazole-4-carbonitrile 
1-ethyl-5-methyl-pyrazole-4-carbonitrile 
AC1NI17Z 
SCHEMBL19504919 
CTK3J9065 
DTXSID60406423 
ALBB-030528 
ZINC2526622 
MFCD04050861 
Literature
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