Home Nitriles 5-amino-3-(diethylamino)-1H-pyrazole-4-carbonitrile

5-amino-3-(diethylamino)-1H-pyrazole-4-carbonitrile

CAS No.:
1159941-93-1
Catalog Number:
AG01EJSY
Molecular Formula:
C8H13N5
Molecular Weight:
179.2223
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Product Description
Catalog Number:
AG01EJSY
Chemical Name:
5-amino-3-(diethylamino)-1H-pyrazole-4-carbonitrile
CAS Number:
1159941-93-1
Molecular Formula:
C8H13N5
Molecular Weight:
179.2223
MDL Number:
MFCD09734888
IUPAC Name:
5-amino-3-(diethylamino)-1H-pyrazole-4-carbonitrile
InChI:
InChI=1S/C8H13N5/c1-3-13(4-2)8-6(5-9)7(10)11-12-8/h3-4H2,1-2H3,(H3,10,11,12)
InChI Key:
AHSPKFHQMQJUPY-UHFFFAOYSA-N
SMILES:
CCN(c1n[nH]c(c1C#N)N)CC
Properties
Complexity:
204  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.117g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
179.227g/mol
Monoisotopic Mass:
179.117g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties