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

C14H14Cl2N2O — CID 114281153

IUPAC1-(2,4-dichlorophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
SMILESCc1nn(C)c(C)c1CC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H14Cl2N2O/c1-8-12(9(2)18(3)17-8)7-14(19)11-5-4-10(15)6-13(11)16/h4-6H,7H2,1-3H3
InChIKeyICOXTVMOZNDFTL-UHFFFAOYSA-N
MW297.19 g/mol
LogP3.77
Rot. Bonds3

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

1-(2,4-dichlorophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone (PubChem CID 114281153) has the molecular formula C14H14Cl2N2O and a molecular weight of 297.19 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
PubChem CID114281153
Molecular FormulaC14H14Cl2N2O
Molecular Weight297.19 g/mol
Exact Mass296.05
IUPAC Name1-(2,4-dichlorophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
SMILESCc1nn(C)c(C)c1CC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H14Cl2N2O/c1-8-12(9(2)18(3)17-8)7-14(19)11-5-4-10(15)6-13(11)16/h4-6H,7H2,1-3H3
InChIKeyICOXTVMOZNDFTL-UHFFFAOYSA-N
XLogP3.77
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dichlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
CID 114978828
1-(4-fluoro-2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 105095663
2-chloro-4-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]benzoic acid
CID 119164233
1-(4-methyl-3-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 105113419
1-(4-bromo-2-chlorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-one
CID 105129160
2-amino-4-chloro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 79225523
1-(2-bromo-3,4-difluorophenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanone
CID 107538217
1-(2-methylpyrazol-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 105100408
1-(2,5-dichlorophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 79006355
2-(2,4-dichlorophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 30054388
1-(2,4-dichlorophenyl)-2-(2-methylphenyl)ethanone
CID 55196773
1-(5-methylthiophen-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 105111587

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone (CID 114281153) is 1-(2,4-dichlorophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone is Cc1nn(C)c(C)c1CC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone?
The InChIKey is ICOXTVMOZNDFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O/c1-8-12(9(2)18(3)17-8)7-14(19)11-5-4-10(15)6-13(11)16/h4-6H,7H2,1-3H3.
What are the key properties of 1-(2,4-dichlorophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone?
1-(2,4-dichlorophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone has a molecular weight of 297.19 g/mol, XLogP of 3.77, 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-(1,3,5-trimethylpyrazol-4-yl)ethanone is sourced from PubChem (CID 114281153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).