Home Other Building Blocks 3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N'-hydroxybenzene-1-carboximidamide

3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N'-hydroxybenzene-1-carboximidamide

CAS No.:
1158103-99-1
Catalog Number:
AG01A7NK
Molecular Formula:
C13H16N4O
Molecular Weight:
244.2923
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Product Description
Catalog Number:
AG01A7NK
Chemical Name:
3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N'-hydroxybenzene-1-carboximidamide
CAS Number:
1158103-99-1
Molecular Formula:
C13H16N4O
Molecular Weight:
244.2923
MDL Number:
MFCD09944130
IUPAC Name:
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N'-hydroxybenzenecarboximidamide
InChI:
InChI=1S/C13H16N4O/c1-9-6-10(2)17(15-9)8-11-4-3-5-12(7-11)13(14)16-18/h3-7,18H,8H2,1-2H3,(H2,14,16)
InChI Key:
NGBOLHCXGNMUHM-UHFFFAOYSA-N
SMILES:
ON=C(c1cccc(c1)Cn1nc(cc1C)C)N
Properties
Complexity:
307  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.132g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
244.298g/mol
Monoisotopic Mass:
244.132g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
76.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
1.8  
Properties