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

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

CAS No.:
1006482-12-7
Catalog Number:
AG019OQA
Molecular Formula:
C16H22N4
Molecular Weight:
270.3727
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Product Description
Catalog Number:
AG019OQA
Chemical Name:
N-(propan-2-yl)-N'-[1-(propan-2-yl)-1H-pyrazol-5-yl]benzenecarboximidamide
CAS Number:
1006482-12-7
Molecular Formula:
C16H22N4
Molecular Weight:
270.3727
MDL Number:
MFCD07348603
IUPAC Name:
N'-propan-2-yl-N-(2-propan-2-ylpyrazol-3-yl)benzenecarboximidamide
InChI:
InChI=1S/C16H22N4/c1-12(2)18-16(14-8-6-5-7-9-14)19-15-10-11-17-20(15)13(3)4/h5-13H,1-4H3,(H,18,19)
InChI Key:
FSICAALNTQUDBH-UHFFFAOYSA-N
SMILES:
CC(NC(=Nc1ccnn1C(C)C)c1ccccc1)C
Properties
Complexity:
318  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.184g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
270.38g/mol
Monoisotopic Mass:
270.184g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
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