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13097-20-6 | Benzamide, N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-
CAS No: 13097-20-6 Catalog No: AG000V76 MDL No:
Product Description
Catalog Number:
AG000V76
Chemical Name:
Benzamide, N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-
CAS Number:
13097-20-6
Molecular Formula:
C16H12ClN3O
Molecular Weight:
297.7390
IUPAC Name:
N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]benzamide
InChI:
InChI=1S/C16H12ClN3O/c17-13-8-6-11(7-9-13)14-10-15(20-19-14)18-16(21)12-4-2-1-3-5-12/h1-10H,(H2,18,19,20,21)
InChI Key:
BHJKTBUGWNYLLO-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1[nH]nc(c1)NC(=O)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:
297.067g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
297.742g/mol
Monoisotopic Mass:
297.067g/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 |
|---|---|
| Design and synthesis of the potent, orally available, brain-penetrable arylpyrazole class of neuropeptide Y5 receptor antagonists. | Journal of medicinal chemistry 20030227 |
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