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

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

CAS No.:
1170656-69-5
Catalog Number:
AG019MCY
Molecular Formula:
C13H15ClFN5
Molecular Weight:
295.7431
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Product Description
Catalog Number:
AG019MCY
Chemical Name:
5-amino-3-(3-aminopropyl)-1-(4-fluorophenyl)-1H-pyrazole-4-carbonitrile hydrochloride
CAS Number:
1170656-69-5
Molecular Formula:
C13H15ClFN5
Molecular Weight:
295.7431
MDL Number:
MFCD10686766
IUPAC Name:
5-amino-3-(3-aminopropyl)-1-(4-fluorophenyl)pyrazole-4-carbonitrile;hydrochloride
InChI:
InChI=1S/C13H14FN5.ClH/c14-9-3-5-10(6-4-9)19-13(17)11(8-16)12(18-19)2-1-7-15;/h3-6H,1-2,7,15,17H2;1H
InChI Key:
HVKBUFCKGJKOLE-UHFFFAOYSA-N
SMILES:
NCCCc1nn(c(c1C#N)N)c1ccc(cc1)F.Cl
Properties
Complexity:
333  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.1g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
295.746g/mol
Monoisotopic Mass:
295.1g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
93.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties