1-(2,4-dichlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone

C13H12Cl2N2O — CID 114978828

IUPAC1-(2,4-dichlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
SMILESCc1cc(CC(=O)c2ccc(Cl)cc2Cl)n(C)n1
InChIInChI=1S/C13H12Cl2N2O/c1-8-5-10(17(2)16-8)7-13(18)11-4-3-9(14)6-12(11)15/h3-6H,7H2,1-2H3
InChIKeyAXMPLZWHCOTHAH-UHFFFAOYSA-N
MW283.16 g/mol
LogP3.46
Rot. Bonds3

About 1-(2,4-dichlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone

1-(2,4-dichlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone (PubChem CID 114978828) has the molecular formula C13H12Cl2N2O and a molecular weight of 283.16 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
PubChem CID114978828
Molecular FormulaC13H12Cl2N2O
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC Name1-(2,4-dichlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
SMILESCc1cc(CC(=O)c2ccc(Cl)cc2Cl)n(C)n1
InChIInChI=1S/C13H12Cl2N2O/c1-8-5-10(17(2)16-8)7-13(18)11-4-3-9(14)6-12(11)15/h3-6H,7H2,1-2H3
InChIKeyAXMPLZWHCOTHAH-UHFFFAOYSA-N
XLogP3.46
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-3-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
CID 114978978
1-(2,4-dichlorophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 114281153
2-(2,5-dimethylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 81274086
1-(4-amino-3,5-dichlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
CID 116609859
1-(3-bromo-4-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
CID 113336903
1-(2,4-dimethoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
CID 114978939
1-(2-tert-butylphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
CID 114979035
N-(3-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)acetamide
CID 110858844
1-(2,4-dichlorophenyl)-2-(2-methylphenyl)ethanone
CID 55196773
(2,5-dichlorophenyl)-(2,5-dimethylpyrazol-3-yl)methanone
CID 105095285
1-(2,4-dichlorophenyl)-2-pyridin-4-ylethanone
CID 22142437
2-(2,5-dimethylpyrazol-3-yl)-1-(5-methylpyrazin-2-yl)ethanone
CID 105108355

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone (CID 114978828) is 1-(2,4-dichlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone is Cc1cc(CC(=O)c2ccc(Cl)cc2Cl)n(C)n1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone?
The InChIKey is AXMPLZWHCOTHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O/c1-8-5-10(17(2)16-8)7-13(18)11-4-3-9(14)6-12(11)15/h3-6H,7H2,1-2H3.
What are the key properties of 1-(2,4-dichlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone?
1-(2,4-dichlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone has a molecular weight of 283.16 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone is sourced from PubChem (CID 114978828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).