Home Nitriles 3-ethyl-1-methyl-1H-pyrazole-4-carbonitrile

3-ethyl-1-methyl-1H-pyrazole-4-carbonitrile

CAS No.:
1541967-39-8
Catalog Number:
AG01ALEH
Molecular Formula:
C7H9N3
Molecular Weight:
135.1665
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Product Description
Catalog Number:
AG01ALEH
Chemical Name:
3-ethyl-1-methyl-1H-pyrazole-4-carbonitrile
CAS Number:
1541967-39-8
Molecular Formula:
C7H9N3
Molecular Weight:
135.1665
MDL Number:
MFCD26075799
IUPAC Name:
3-ethyl-1-methylpyrazole-4-carbonitrile
InChI:
InChI=1S/C7H9N3/c1-3-7-6(4-8)5-10(2)9-7/h5H,3H2,1-2H3
InChI Key:
XMUZOPRQQMHJBI-UHFFFAOYSA-N
SMILES:
CCc1nn(cc1C#N)C
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:
0.8  
Properties