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Home > Nitro Compounds > 63532-66-1
63532-66-1 | 3-(4-NITROPHENYL)-5-PHENYL-1H-PYRAZOLE
CAS No: 63532-66-1 Catalog No: AG01DSU1 MDL No:MFCD00422482
Product Description
Catalog Number:
AG01DSU1
Chemical Name:
3-(4-NITROPHENYL)-5-PHENYL-1H-PYRAZOLE
CAS Number:
63532-66-1
Molecular Formula:
C15H11N3O2
Molecular Weight:
265.2667
MDL Number:
MFCD00422482
IUPAC Name:
5-(4-nitrophenyl)-3-phenyl-1H-pyrazole
InChI:
InChI=1S/C15H11N3O2/c19-18(20)13-8-6-12(7-9-13)15-10-14(16-17-15)11-4-2-1-3-5-11/h1-10H,(H,16,17)
InChI Key:
KPLRDWVOGANZAD-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)c1cc([nH]n1)c1ccccc1
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.085g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.272g/mol
Monoisotopic Mass:
265.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| 3,5-Diaryl-1H-pyrazole as a molecular scaffold for the synthesis of apoptosis-inducing agents. | Bioorganic & medicinal chemistry 20100501 |
| Aryl azoles with neuroprotective activity--parallel synthesis and attempts at target identification. | Bioorganic & medicinal chemistry 20080215 |
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