Home Other Building Blocks 1-(2-cyanoethyl)-1H-pyrazole-4-carboxamide

1-(2-cyanoethyl)-1H-pyrazole-4-carboxamide

CAS No.:
1394041-54-3
Catalog Number:
AG01A0J7
Molecular Formula:
C7H8N4O
Molecular Weight:
164.1646
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Product Description
Catalog Number:
AG01A0J7
Chemical Name:
1-(2-cyanoethyl)-1H-pyrazole-4-carboxamide
CAS Number:
1394041-54-3
Molecular Formula:
C7H8N4O
Molecular Weight:
164.1646
MDL Number:
MFCD22378748
IUPAC Name:
1-(2-cyanoethyl)pyrazole-4-carboxamide
InChI:
InChI=1S/C7H8N4O/c8-2-1-3-11-5-6(4-10-11)7(9)12/h4-5H,1,3H2,(H2,9,12)
InChI Key:
SWSWARKJPJOEGV-UHFFFAOYSA-N
SMILES:
NC(=O)c1cn(nc1)CCC#N
Properties
Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.07g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
164.168g/mol
Monoisotopic Mass:
164.07g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3  
Properties