2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide

C23H25Cl2N3O3 — CID 39273650

IUPAC2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccc(CN(C)C(=O)Cc2c(C)nn(-c3ccc(Cl)c(Cl)c3)c2C)c(OC)c1
InChIInChI=1S/C23H25Cl2N3O3/c1-14-19(15(2)28(26-14)17-7-9-20(24)21(25)10-17)12-23(29)27(3)13-16-6-8-18(30-4)11-22(16)31-5/h6-11H,12-13H2,1-5H3
InChIKeyFMWMORJRTQZHHS-UHFFFAOYSA-N
MW462.38 g/mol
LogP5.01
Rot. Bonds7

About 2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide

2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide (PubChem CID 39273650) has the molecular formula C23H25Cl2N3O3 and a molecular weight of 462.38 g/mol. Its IUPAC name is 2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide
PubChem CID39273650
Molecular FormulaC23H25Cl2N3O3
Molecular Weight462.38 g/mol
Exact Mass461.13
IUPAC Name2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccc(CN(C)C(=O)Cc2c(C)nn(-c3ccc(Cl)c(Cl)c3)c2C)c(OC)c1
InChIInChI=1S/C23H25Cl2N3O3/c1-14-19(15(2)28(26-14)17-7-9-20(24)21(25)10-17)12-23(29)27(3)13-16-6-8-18(30-4)11-22(16)31-5/h6-11H,12-13H2,1-5H3
InChIKeyFMWMORJRTQZHHS-UHFFFAOYSA-N
XLogP5.01
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.38
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dichlorophenoxy)-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide
CID 36999617
methyl 2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetate
CID 61381106
2-(2,5-dimethoxyphenyl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylacetamide
CID 78807072
2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-phenylacetamide
CID 39035133
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-2-(2,3,4-trimethoxyphenyl)acetamide
CID 8531865
2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 55739617
N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 94687468
2-(4-chlorophenyl)sulfanyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide
CID 112781383
2-(3,4-dichlorophenyl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylacetamide
CID 39763365
2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-methoxyethyl)acetamide
CID 39033208
methyl 2-[[2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-2-methylpropanoate
CID 39459885
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7930585

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide (CID 39273650) is 2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide is COc1ccc(CN(C)C(=O)Cc2c(C)nn(-c3ccc(Cl)c(Cl)c3)c2C)c(OC)c1.
What is the InChIKey of 2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide?
The InChIKey is FMWMORJRTQZHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2N3O3/c1-14-19(15(2)28(26-14)17-7-9-20(24)21(25)10-17)12-23(29)27(3)13-16-6-8-18(30-4)11-22(16)31-5/h6-11H,12-13H2,1-5H3.
What are the key properties of 2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide?
2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide has a molecular weight of 462.38 g/mol, XLogP of 5.01, 7 rotatable bonds, 0 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-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 39273650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).