Home Nitriles 5-amino-3-(3-aminopropyl)-1-phenyl-1H-pyrazole-4-carbonitrile hydrochloride

5-amino-3-(3-aminopropyl)-1-phenyl-1H-pyrazole-4-carbonitrile hydrochloride

CAS No.:
1170367-63-1
Catalog Number:
AG019LJF
Molecular Formula:
C13H16ClN5
Molecular Weight:
277.7526
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Product Description
Catalog Number:
AG019LJF
Chemical Name:
5-amino-3-(3-aminopropyl)-1-phenyl-1H-pyrazole-4-carbonitrile hydrochloride
CAS Number:
1170367-63-1
Molecular Formula:
C13H16ClN5
Molecular Weight:
277.7526
MDL Number:
MFCD09971493
IUPAC Name:
5-amino-3-(3-aminopropyl)-1-phenylpyrazole-4-carbonitrile;hydrochloride
InChI:
InChI=1S/C13H15N5.ClH/c14-8-4-7-12-11(9-15)13(16)18(17-12)10-5-2-1-3-6-10;/h1-3,5-6H,4,7-8,14,16H2;1H
InChI Key:
NCKXAGRKUKAZGR-UHFFFAOYSA-N
SMILES:
NCCCc1nn(c(c1C#N)N)c1ccccc1.Cl
Properties
Complexity:
304  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.109g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
277.756g/mol
Monoisotopic Mass:
277.109g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
93.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties