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Home Aminos 1H-Pyrazole-1-ethanol, 5-amino-3-phenyl-

1H-Pyrazole-1-ethanol, 5-amino-3-phenyl-

CAS No.:
14085-42-8
Catalog Number:
AG001CWY
Molecular Formula:
C11H13N3O
Molecular Weight:
203.2404
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Product Description
Catalog Number:
AG001CWY
Chemical Name:
1H-Pyrazole-1-ethanol, 5-amino-3-phenyl-
CAS Number:
14085-42-8
Molecular Formula:
C11H13N3O
Molecular Weight:
203.2404
MDL Number:
MFCD05263730
IUPAC Name:
2-(5-amino-3-phenylpyrazol-1-yl)ethanol
InChI:
InChI=1S/C11H13N3O/c12-11-8-10(13-14(11)6-7-15)9-4-2-1-3-5-9/h1-5,8,15H,6-7,12H2
InChI Key:
VWHSJZHUWWEFAC-UHFFFAOYSA-N
SMILES:
OCCn1nc(cc1N)c1ccccc1
Properties
Complexity:
194  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.106g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
203.245g/mol
Monoisotopic Mass:
203.106g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
64.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
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