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

C13H12Cl2N2O — CID 102802703

IUPAC2-(3,4-dichlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanone
SMILESCc1nn(C)cc1C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H12Cl2N2O/c1-8-10(7-17(2)16-8)13(18)6-9-3-4-11(14)12(15)5-9/h3-5,7H,6H2,1-2H3
InChIKeyMHOHLZSUDITKAG-UHFFFAOYSA-N
MW283.16 g/mol
LogP3.46
Rot. Bonds3

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

2-(3,4-dichlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanone (PubChem CID 102802703) has the molecular formula C13H12Cl2N2O and a molecular weight of 283.16 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanone
PubChem CID102802703
Molecular FormulaC13H12Cl2N2O
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC Name2-(3,4-dichlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanone
SMILESCc1nn(C)cc1C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H12Cl2N2O/c1-8-10(7-17(2)16-8)13(18)6-9-3-4-11(14)12(15)5-9/h3-5,7H,6H2,1-2H3
InChIKeyMHOHLZSUDITKAG-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

Analyze 2-(3,4-dichlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-tert-butylphenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanone
CID 102802701
1-(1,3-dimethylpyrazol-4-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 102802687
1-(1,3-dimethylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 102802676
2-(3,4-dichlorophenyl)-1-(1-methylindol-3-yl)ethanone
CID 63490619
N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide
CID 19474899
2-(3,4-dichlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanone
CID 63409531
2-[4-[2-chloro-4-[2-(1,3-dimethylpyrazol-4-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-hydroxypiperidin-1-yl)phenyl]ethanone
CID 152896197
1-(4-bromo-2-chlorophenyl)-3-(1,3-dimethylpyrazol-4-yl)propane-1,3-dione
CID 102801790
2-(3,4-dichlorophenyl)-1-(2,6-dimethylphenyl)ethanone
CID 114026090
2-(3-chloro-4-fluorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 103042869
1-(1,3-dimethylpyrazol-4-yl)-2-(1-methyltriazol-4-yl)ethanone
CID 107063008
2-(3,4-dichlorophenyl)-1-(3-methyl-2-pyridinyl)ethanone
CID 62621745

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanone?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanone (CID 102802703) is 2-(3,4-dichlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanone.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanone?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanone is Cc1nn(C)cc1C(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanone?
The InChIKey is MHOHLZSUDITKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O/c1-8-10(7-17(2)16-8)13(18)6-9-3-4-11(14)12(15)5-9/h3-5,7H,6H2,1-2H3.
What are the key properties of 2-(3,4-dichlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanone?
2-(3,4-dichlorophenyl)-1-(1,3-dimethylpyrazol-4-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 2-(3,4-dichlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanone is sourced from PubChem (CID 102802703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).