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Home Other Building Blocks N-methyl-N'-[1-(propan-2-yl)-1H-pyrazol-5-yl]benzenecarboximidamide

N-methyl-N'-[1-(propan-2-yl)-1H-pyrazol-5-yl]benzenecarboximidamide

CAS No.:
1006463-43-9
Catalog Number:
AG019ON8
Molecular Formula:
C14H18N4
Molecular Weight:
242.3195
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Product Description
Catalog Number:
AG019ON8
Chemical Name:
N-methyl-N'-[1-(propan-2-yl)-1H-pyrazol-5-yl]benzenecarboximidamide
CAS Number:
1006463-43-9
Molecular Formula:
C14H18N4
Molecular Weight:
242.3195
MDL Number:
MFCD07344325
IUPAC Name:
N'-methyl-N-(2-propan-2-ylpyrazol-3-yl)benzenecarboximidamide
InChI:
InChI=1S/C14H18N4/c1-11(2)18-13(9-10-16-18)17-14(15-3)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,15,17)
InChI Key:
KQIGIIARTPQUEH-UHFFFAOYSA-N
SMILES:
CNC(=Nc1ccnn1C(C)C)c1ccccc1
Properties
Complexity:
282  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.153g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
242.326g/mol
Monoisotopic Mass:
242.153g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties