Home Other Building Blocks 1006471-43-7
1006471-43-7,MFCD04969707
Catalog No.:AA0002HS
1006471-43-7 | 1-Ethyl-3-methyl-1H-pyrazole-4-carbonitrile
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$74.00   $52.00
- +
5g
95%
in stock  
$212.00   $148.00
- +
  • Technical Information
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Technical Information
Catalog Number:
AA0002HS
Chemical Name:
1-Ethyl-3-methyl-1H-pyrazole-4-carbonitrile
CAS Number:
1006471-43-7
Molecular Formula:
C7H9N3
Molecular Weight:
135.1665
MDL Number:
MFCD04969707
IUPAC Name:
1-ethyl-3-methylpyrazole-4-carbonitrile
InChI:
InChI=1S/C7H9N3/c1-3-10-5-7(4-8)6(2)9-10/h5H,3H2,1-2H3
InChI Key:
JMCHQKIBVJRNIP-UHFFFAOYSA-N
SMILES:
N#Cc1cn(nc1C)CC
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-3-methyl-1H-pyrazole-4-carbonitrile 
1006471-43-7 
STK787521 
AKOS000309839 
MCULE-4492714615 
AJ-38706 
ST4143372 
Y-1519 
1H-Pyrazole-4-carbonitrile, 1-ethyl-3-methyl- 
1-ethyl-3-methylpyrazole-4-carbonitrile 
SCHEMBL12888201 
CTK3J9156 
DTXSID70587959 
ALBB-032334 
ZINC2537521 
MFCD04969707 
SBB014819 
Literature
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