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Home Other Building Blocks [(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl](methyl)amine

[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl](methyl)amine

CAS No.:
956757-25-8
Catalog Number:
AG019NXU
Molecular Formula:
C13H17N3
Molecular Weight:
215.2942
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Product Description
Catalog Number:
AG019NXU
Chemical Name:
[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl](methyl)amine
CAS Number:
956757-25-8
Molecular Formula:
C13H17N3
Molecular Weight:
215.2942
MDL Number:
MFCD02656667
IUPAC Name:
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methylmethanamine
InChI:
InChI=1S/C13H17N3/c1-10-13(9-14-3)11(2)16(15-10)12-7-5-4-6-8-12/h4-8,14H,9H2,1-3H3
InChI Key:
UDAJIVJBHSXIDI-UHFFFAOYSA-N
SMILES:
CNCc1c(C)nn(c1C)c1ccccc1
Properties
Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.142g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
215.3g/mol
Monoisotopic Mass:
215.142g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
29.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties