2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(4-imidazol-1-ylphenyl)acetamide

C22H19Cl2N5O — CID 55687679

IUPAC2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(4-imidazol-1-ylphenyl)acetamide
SMILESCc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)Nc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C22H19Cl2N5O/c1-14-19(15(2)29(27-14)18-7-8-20(23)21(24)11-18)12-22(30)26-16-3-5-17(6-4-16)28-10-9-25-13-28/h3-11,13H,12H2,1-2H3,(H,26,30)
InChIKeyDFLWMRILIFPREP-UHFFFAOYSA-N
MW440.33 g/mol
LogP5.16
Rot. Bonds5

About 2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(4-imidazol-1-ylphenyl)acetamide

2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(4-imidazol-1-ylphenyl)acetamide (PubChem CID 55687679) has the molecular formula C22H19Cl2N5O and a molecular weight of 440.33 g/mol. Its IUPAC name is 2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(4-imidazol-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(4-imidazol-1-ylphenyl)acetamide
PubChem CID55687679
Molecular FormulaC22H19Cl2N5O
Molecular Weight440.33 g/mol
Exact Mass439.10
IUPAC Name2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(4-imidazol-1-ylphenyl)acetamide
SMILESCc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)Nc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C22H19Cl2N5O/c1-14-19(15(2)29(27-14)18-7-8-20(23)21(24)11-18)12-22(30)26-16-3-5-17(6-4-16)28-10-9-25-13-28/h3-11,13H,12H2,1-2H3,(H,26,30)
InChIKeyDFLWMRILIFPREP-UHFFFAOYSA-N
XLogP5.16
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.33
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(4-imidazol-1-ylphenyl)acetamide?
The IUPAC name of 2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(4-imidazol-1-ylphenyl)acetamide (CID 55687679) is 2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(4-imidazol-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(4-imidazol-1-ylphenyl)acetamide?
The canonical SMILES for 2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(4-imidazol-1-ylphenyl)acetamide is Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)Nc1ccc(-n2ccnc2)cc1.
What is the InChIKey of 2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(4-imidazol-1-ylphenyl)acetamide?
The InChIKey is DFLWMRILIFPREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2N5O/c1-14-19(15(2)29(27-14)18-7-8-20(23)21(24)11-18)12-22(30)26-16-3-5-17(6-4-16)28-10-9-25-13-28/h3-11,13H,12H2,1-2H3,(H,26,30).
What are the key properties of 2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(4-imidazol-1-ylphenyl)acetamide?
2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(4-imidazol-1-ylphenyl)acetamide has a molecular weight of 440.33 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(4-imidazol-1-ylphenyl)acetamide is sourced from PubChem (CID 55687679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).