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714230-86-1 | Benzamide, 4-bromo-N-(5-phenyl-1H-pyrazol-3-yl)-
CAS No: 714230-86-1 Catalog No: AG005ILL MDL No:
Product Description
Catalog Number:
AG005ILL
Chemical Name:
Benzamide, 4-bromo-N-(5-phenyl-1H-pyrazol-3-yl)-
CAS Number:
714230-86-1
Molecular Formula:
C16H12BrN3O
Molecular Weight:
342.1900
IUPAC Name:
4-bromo-N-(5-phenyl-1H-pyrazol-3-yl)benzamide
InChI:
InChI=1S/C16H12BrN3O/c17-13-8-6-12(7-9-13)16(21)18-15-10-14(19-20-15)11-4-2-1-3-5-11/h1-10H,(H2,18,19,20,21)
InChI Key:
UPHNFFTWGGYNIM-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C(=O)Nc1n[nH]c(c1)c1ccccc1
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.016g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
342.196g/mol
Monoisotopic Mass:
341.016g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| 3-Aminopyrazole inhibitors of CDK2/cyclin A as antitumor agents. 1. Lead finding. | Journal of medicinal chemistry 20040617 |
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