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Home > Nitro Compounds > 10252-51-4
10252-51-4 | 1H-Pyrazole, 1-(4-nitrophenyl)-3,5-diphenyl-
CAS No: 10252-51-4 Catalog No: AG0007NS MDL No:
Product Description
Catalog Number:
AG0007NS
Chemical Name:
1H-Pyrazole, 1-(4-nitrophenyl)-3,5-diphenyl-
CAS Number:
10252-51-4
Molecular Formula:
C21H15N3O2
Molecular Weight:
341.3627
IUPAC Name:
1-(4-nitrophenyl)-3,5-diphenylpyrazole
InChI:
InChI=1S/C21H15N3O2/c25-24(26)19-13-11-18(12-14-19)23-21(17-9-5-2-6-10-17)15-20(22-23)16-7-3-1-4-8-16/h1-15H
InChI Key:
PXCMBYXFVRQYSH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)n1nc(cc1c1ccccc1)c1ccccc1
Properties
Complexity:
460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.116g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
341.37g/mol
Monoisotopic Mass:
341.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
Literature
| Title | Journal |
|---|---|
| Novel heteroaromatic organofluorine inhibitors of fructose-1,6-bisphosphatase. | Journal of medicinal chemistry 20090212 |
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