Home Other Building Blocks 1177347-82-8
1177347-82-8,MFCD10686601
Catalog No.:AA00J1SK
1177347-82-8 | 5-Methyl-1-propyl-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
- +
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Technical Information
Catalog Number:
AA00J1SK
Chemical Name:
5-Methyl-1-propyl-1H-pyrazole-4-carbonitrile
CAS Number:
1177347-82-8
Molecular Formula:
C8H11N3
Molecular Weight:
149.1930
MDL Number:
MFCD10686601
IUPAC Name:
5-methyl-1-propylpyrazole-4-carbonitrile
InChI:
InChI=1S/C8H11N3/c1-3-4-11-7(2)8(5-9)6-10-11/h6H,3-4H2,1-2H3
InChI Key:
GDKFXUIDXJBRGN-UHFFFAOYSA-N
SMILES:
Cc1c(cnn1CCC)C#N
Properties
Computed Properties
 
Complexity:
169  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.095g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
149.197g/mol
Monoisotopic Mass:
149.095g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  

Synonyms
 
5-METHYL-1-PROPYL-1H-PYRAZOLE-4-CARBONITRILE 
1177347-82-8 
MFCD10686601 
ZINC19092920 
AKOS006304090 
AJ-71953 
Y-6376 
Literature
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