1-(2,4-dichlorophenyl)-2-(4-methylpyrazol-1-yl)propan-1-one

C13H12Cl2N2O — CID 60871958

IUPAC1-(2,4-dichlorophenyl)-2-(4-methylpyrazol-1-yl)propan-1-one
SMILESCc1cnn(C(C)C(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C13H12Cl2N2O/c1-8-6-16-17(7-8)9(2)13(18)11-4-3-10(14)5-12(11)15/h3-7,9H,1-2H3
InChIKeyZENCDGAHMZLOIK-UHFFFAOYSA-N
MW283.16 g/mol
LogP3.94
Rot. Bonds3

About 1-(2,4-dichlorophenyl)-2-(4-methylpyrazol-1-yl)propan-1-one

1-(2,4-dichlorophenyl)-2-(4-methylpyrazol-1-yl)propan-1-one (PubChem CID 60871958) has the molecular formula C13H12Cl2N2O and a molecular weight of 283.16 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-(4-methylpyrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-(4-methylpyrazol-1-yl)propan-1-one
PubChem CID60871958
Molecular FormulaC13H12Cl2N2O
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC Name1-(2,4-dichlorophenyl)-2-(4-methylpyrazol-1-yl)propan-1-one
SMILESCc1cnn(C(C)C(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C13H12Cl2N2O/c1-8-6-16-17(7-8)9(2)13(18)11-4-3-10(14)5-12(11)15/h3-7,9H,1-2H3
InChIKeyZENCDGAHMZLOIK-UHFFFAOYSA-N
XLogP3.94
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 ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-chloropyrazol-1-yl)-1-(4-methylphenyl)propan-1-one
CID 93455407
3-(2,4-dichlorophenyl)-2-methyl-3-oxopropanoic acid
CID 116918261
1-(2,4-dichlorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
CID 81204933
2-(3-aminopiperidin-1-yl)-1-(2,4-dichlorophenyl)propan-1-one
CID 62037868
1-(2,4-dichlorophenyl)-2-hydroxy-3-methylbutan-1-one
CID 130517010
1-(2,4-dichlorophenyl)-2-(4-hydroxy-3-methylpiperidin-1-yl)propan-1-one
CID 114679261
ethyl (2R)-2-(4-methylpyrazol-1-yl)propanoate
CID 7017156
2-(2,5-dichlorophenoxy)-1-(2,4-dichlorophenyl)propan-1-one
CID 63565663
1-(2,4-dichlorophenyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
CID 102884663
N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-2-(4-methylpyrazol-1-yl)propanamide
CID 19534489
1-(2,4-dichlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropan-1-one
CID 62306346
2-(cyclopropylamino)-1-(2,4-dichlorophenyl)propan-1-one
CID 82100516

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-(4-methylpyrazol-1-yl)propan-1-one?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-(4-methylpyrazol-1-yl)propan-1-one (CID 60871958) is 1-(2,4-dichlorophenyl)-2-(4-methylpyrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-(4-methylpyrazol-1-yl)propan-1-one?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-(4-methylpyrazol-1-yl)propan-1-one is Cc1cnn(C(C)C(=O)c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-(4-methylpyrazol-1-yl)propan-1-one?
The InChIKey is ZENCDGAHMZLOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O/c1-8-6-16-17(7-8)9(2)13(18)11-4-3-10(14)5-12(11)15/h3-7,9H,1-2H3.
What are the key properties of 1-(2,4-dichlorophenyl)-2-(4-methylpyrazol-1-yl)propan-1-one?
1-(2,4-dichlorophenyl)-2-(4-methylpyrazol-1-yl)propan-1-one has a molecular weight of 283.16 g/mol, XLogP of 3.94, 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-(4-methylpyrazol-1-yl)propan-1-one is sourced from PubChem (CID 60871958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).