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28710-97-6 | 3H-Pyrazol-3-one, 5-amino-1,2-dihydro-2-phenyl-
CAS No: 28710-97-6 Catalog No: AG002W77 MDL No:MFCD00047031
Product Description
Catalog Number:
AG002W77
Chemical Name:
3H-Pyrazol-3-one, 5-amino-1,2-dihydro-2-phenyl-
CAS Number:
28710-97-6
Molecular Formula:
C9H9N3O
Molecular Weight:
175.1873
MDL Number:
MFCD00047031
IUPAC Name:
5-amino-2-phenyl-1H-pyrazol-3-one
InChI:
InChI=1S/C9H9N3O/c10-8-6-9(13)12(11-8)7-4-2-1-3-5-7/h1-6,11H,10H2
InChI Key:
PVKNQGWSRAGMNM-UHFFFAOYSA-N
SMILES:
Nc1[nH]n(c(=O)c1)c1ccccc1
EC Number:
249-175-7
NSC Number:
266160
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.075g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
175.191g/mol
Monoisotopic Mass:
175.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
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 |
| Synthesis and biological evaluation of a new class of acyl derivatives of 3-amino-1-phenyl-4,5-dihydro-1H-pyrazol-5-one as potential dual cyclooxygenase (COX-1 and COX-2) and human lipoxygenase (5-LOX) inhibitors. | Farmaco (Societa chimica italiana : 1989) 20050401 |
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