N-[3-oxo-2-(2,4,6-trichlorophenyl)-1H-pyrazol-5-yl]benzamide

C16H10Cl3N3O2 — CID 22348604

IUPACN-[3-oxo-2-(2,4,6-trichlorophenyl)-1H-pyrazol-5-yl]benzamide
SMILESO=C(Nc1cc(=O)n(-c2c(Cl)cc(Cl)cc2Cl)[nH]1)c1ccccc1
InChIInChI=1S/C16H10Cl3N3O2/c17-10-6-11(18)15(12(19)7-10)22-14(23)8-13(21-22)20-16(24)9-4-2-1-3-5-9/h1-8,21H,(H,20,24)
InChIKeyZYFCIIDYSMVSHO-UHFFFAOYSA-N
MW382.63 g/mol
LogP4.38
Rot. Bonds3

About N-[3-oxo-2-(2,4,6-trichlorophenyl)-1H-pyrazol-5-yl]benzamide

N-[3-oxo-2-(2,4,6-trichlorophenyl)-1H-pyrazol-5-yl]benzamide (PubChem CID 22348604) has the molecular formula C16H10Cl3N3O2 and a molecular weight of 382.63 g/mol. Its IUPAC name is N-[3-oxo-2-(2,4,6-trichlorophenyl)-1H-pyrazol-5-yl]benzamide.

Molecular Properties

Compound NameN-[3-oxo-2-(2,4,6-trichlorophenyl)-1H-pyrazol-5-yl]benzamide
PubChem CID22348604
Molecular FormulaC16H10Cl3N3O2
Molecular Weight382.63 g/mol
Exact Mass380.98
IUPAC NameN-[3-oxo-2-(2,4,6-trichlorophenyl)-1H-pyrazol-5-yl]benzamide
SMILESO=C(Nc1cc(=O)n(-c2c(Cl)cc(Cl)cc2Cl)[nH]1)c1ccccc1
InChIInChI=1S/C16H10Cl3N3O2/c17-10-6-11(18)15(12(19)7-10)22-14(23)8-13(21-22)20-16(24)9-4-2-1-3-5-9/h1-8,21H,(H,20,24)
InChIKeyZYFCIIDYSMVSHO-UHFFFAOYSA-N
XLogP4.38
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.63
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3,3-dimethyl-2-[4-(2-methylbutan-2-yl)phenoxy]pentanoyl]amino]-N-[3-oxo-2-(2,4,6-trichlorophenyl)-1H-pyrazol-5-yl]benzamide
CID 54517431
N-[(Z)-[5-methyl-3-oxo-2-(2,4,6-trichlorophenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide
CID 137302245
1-benzofuran-2-yl-[3-chloro-4-[[3-oxo-2-(2,4,6-trichlorophenyl)-1H-pyrazol-5-yl]amino]phenyl]carbamic acid
CID 67737417
N-(2,5-dichlorophenyl)benzamide;hydroiodide
CID 175991469
N-(2,4-dioxo-1H-pyrimidin-6-yl)benzamide
CID 3436100
2-methyl-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)prop-2-enamide
CID 19032235
N-[2-(2,5-dichlorophenyl)-3-oxo-1H-pyrazol-5-yl]prop-2-enamide
CID 45108249
N-(4-chlorophenyl)benzamide;hydrochloride
CID 139912610
3-benzyl-N-(2,4-dichlorophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 4210205
2,4,6-trichloro-N-phenylbenzamide
CID 68933625
3-[(3,5-dichlorophenyl)carbamoyl]benzoic acid
CID 43452757
4-chloro-N-[5-oxo-4-pyrazol-1-yl-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide
CID 58803165

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-2-(2,4,6-trichlorophenyl)-1H-pyrazol-5-yl]benzamide?
The IUPAC name of N-[3-oxo-2-(2,4,6-trichlorophenyl)-1H-pyrazol-5-yl]benzamide (CID 22348604) is N-[3-oxo-2-(2,4,6-trichlorophenyl)-1H-pyrazol-5-yl]benzamide.
What is the SMILES notation for N-[3-oxo-2-(2,4,6-trichlorophenyl)-1H-pyrazol-5-yl]benzamide?
The canonical SMILES for N-[3-oxo-2-(2,4,6-trichlorophenyl)-1H-pyrazol-5-yl]benzamide is O=C(Nc1cc(=O)n(-c2c(Cl)cc(Cl)cc2Cl)[nH]1)c1ccccc1.
What is the InChIKey of N-[3-oxo-2-(2,4,6-trichlorophenyl)-1H-pyrazol-5-yl]benzamide?
The InChIKey is ZYFCIIDYSMVSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl3N3O2/c17-10-6-11(18)15(12(19)7-10)22-14(23)8-13(21-22)20-16(24)9-4-2-1-3-5-9/h1-8,21H,(H,20,24).
What are the key properties of N-[3-oxo-2-(2,4,6-trichlorophenyl)-1H-pyrazol-5-yl]benzamide?
N-[3-oxo-2-(2,4,6-trichlorophenyl)-1H-pyrazol-5-yl]benzamide has a molecular weight of 382.63 g/mol, XLogP of 4.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-2-(2,4,6-trichlorophenyl)-1H-pyrazol-5-yl]benzamide is sourced from PubChem (CID 22348604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).