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895042-78-1

895042-78-1 | 1-(4-Bromophenyl)-3-(tert-butyl)-1H-pyrazol-5-amine

CAS No: 895042-78-1 Catalog No: AG0041U5 MDL No:MFCD04115095

Product Description

Catalog Number:
AG0041U5
Chemical Name:
1-(4-Bromophenyl)-3-(tert-butyl)-1H-pyrazol-5-amine
CAS Number:
895042-78-1
Molecular Formula:
C13H16BrN3
Molecular Weight:
294.1902
MDL Number:
MFCD04115095
IUPAC Name:
2-(4-bromophenyl)-5-tert-butylpyrazol-3-amine
InChI:
InChI=1S/C13H16BrN3/c1-13(2,3)11-8-12(15)17(16-11)10-6-4-9(14)5-7-10/h4-8H,15H2,1-3H3
InChI Key:
FCDQYVXCGSUWJN-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)n1nc(cc1N)C(C)(C)C

Properties

Complexity:
256  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.053g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
294.196g/mol
Monoisotopic Mass:
293.053g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  

Literature

Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101

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