2-(4-chloropyrazol-1-yl)-1-(3,4-dichlorophenyl)ethanone

C11H7Cl3N2O — CID 54909683

IUPAC2-(4-chloropyrazol-1-yl)-1-(3,4-dichlorophenyl)ethanone
SMILESO=C(Cn1cc(Cl)cn1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H7Cl3N2O/c12-8-4-15-16(5-8)6-11(17)7-1-2-9(13)10(14)3-7/h1-5H,6H2
InChIKeyPEYYBTIZOOHVFF-UHFFFAOYSA-N
MW289.55 g/mol
LogP3.73
Rot. Bonds3

About 2-(4-chloropyrazol-1-yl)-1-(3,4-dichlorophenyl)ethanone

2-(4-chloropyrazol-1-yl)-1-(3,4-dichlorophenyl)ethanone (PubChem CID 54909683) has the molecular formula C11H7Cl3N2O and a molecular weight of 289.55 g/mol. Its IUPAC name is 2-(4-chloropyrazol-1-yl)-1-(3,4-dichlorophenyl)ethanone.

Molecular Properties

Compound Name2-(4-chloropyrazol-1-yl)-1-(3,4-dichlorophenyl)ethanone
PubChem CID54909683
Molecular FormulaC11H7Cl3N2O
Molecular Weight289.55 g/mol
Exact Mass287.96
IUPAC Name2-(4-chloropyrazol-1-yl)-1-(3,4-dichlorophenyl)ethanone
SMILESO=C(Cn1cc(Cl)cn1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H7Cl3N2O/c12-8-4-15-16(5-8)6-11(17)7-1-2-9(13)10(14)3-7/h1-5H,6H2
InChIKeyPEYYBTIZOOHVFF-UHFFFAOYSA-N
XLogP3.73
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.55
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloropyrazol-1-yl)-1-(3,4-dichlorophenyl)ethanone?
The IUPAC name of 2-(4-chloropyrazol-1-yl)-1-(3,4-dichlorophenyl)ethanone (CID 54909683) is 2-(4-chloropyrazol-1-yl)-1-(3,4-dichlorophenyl)ethanone.
What is the SMILES notation for 2-(4-chloropyrazol-1-yl)-1-(3,4-dichlorophenyl)ethanone?
The canonical SMILES for 2-(4-chloropyrazol-1-yl)-1-(3,4-dichlorophenyl)ethanone is O=C(Cn1cc(Cl)cn1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(4-chloropyrazol-1-yl)-1-(3,4-dichlorophenyl)ethanone?
The InChIKey is PEYYBTIZOOHVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl3N2O/c12-8-4-15-16(5-8)6-11(17)7-1-2-9(13)10(14)3-7/h1-5H,6H2.
What are the key properties of 2-(4-chloropyrazol-1-yl)-1-(3,4-dichlorophenyl)ethanone?
2-(4-chloropyrazol-1-yl)-1-(3,4-dichlorophenyl)ethanone has a molecular weight of 289.55 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloropyrazol-1-yl)-1-(3,4-dichlorophenyl)ethanone is sourced from PubChem (CID 54909683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).