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

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

CAS No.:
892143-04-3
Catalog Number:
AG019VFI
Molecular Formula:
C7H10N4O2
Molecular Weight:
182.1799
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Product Description
Catalog Number:
AG019VFI
Chemical Name:
5-amino-3-(3-hydroxypropoxy)-1H-pyrazole-4-carbonitrile
CAS Number:
892143-04-3
Molecular Formula:
C7H10N4O2
Molecular Weight:
182.1799
MDL Number:
MFCD09702276
IUPAC Name:
5-amino-3-(3-hydroxypropoxy)-1H-pyrazole-4-carbonitrile
InChI:
InChI=1S/C7H10N4O2/c8-4-5-6(9)10-11-7(5)13-3-1-2-12/h12H,1-3H2,(H3,9,10,11)
InChI Key:
MZBPKHLHRUZEQT-UHFFFAOYSA-N
SMILES:
Nc1c(C#N)c(n[nH]1)OCCCO
Properties
Complexity:
202  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.08g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
182.183g/mol
Monoisotopic Mass:
182.08g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties