2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,3-dichlorophenyl)acetamide

C13H9Cl3F3N3O — CID 1113733

IUPAC2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,3-dichlorophenyl)acetamide
SMILESCc1c(Cl)c(C(F)(F)F)nn1CC(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C13H9Cl3F3N3O/c1-6-10(15)12(13(17,18)19)21-22(6)5-9(23)20-8-4-2-3-7(14)11(8)16/h2-4H,5H2,1H3,(H,20,23)
InChIKeyVWICLYVCHJXHJT-UHFFFAOYSA-N
MW386.59 g/mol
LogP4.81
Rot. Bonds3

About 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,3-dichlorophenyl)acetamide

2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,3-dichlorophenyl)acetamide (PubChem CID 1113733) has the molecular formula C13H9Cl3F3N3O and a molecular weight of 386.59 g/mol. Its IUPAC name is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,3-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,3-dichlorophenyl)acetamide
PubChem CID1113733
Molecular FormulaC13H9Cl3F3N3O
Molecular Weight386.59 g/mol
Exact Mass384.98
IUPAC Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,3-dichlorophenyl)acetamide
SMILESCc1c(Cl)c(C(F)(F)F)nn1CC(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C13H9Cl3F3N3O/c1-6-10(15)12(13(17,18)19)21-22(6)5-9(23)20-8-4-2-3-7(14)11(8)16/h2-4H,5H2,1H3,(H,20,23)
InChIKeyVWICLYVCHJXHJT-UHFFFAOYSA-N
XLogP4.81
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.59
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Chloro-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-1-[4-(4-chloro-phenyl)-piperazin-1-yl]-ethanone
CID 21071094
N-(2,3-dichlorophenyl)-N'-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)urea
CID 971083
2-(2-Chloroanilino)-1-(3,5-dimethylpyrazol-1-yl)ethanone
CID 703693
4-chloro-N-(2,3-dichlorophenyl)-1-methyl-1H-pyrazole-3-carboxamide
CID 892123
N-(3-chlorophenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetamide
CID 1129680
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3,4-dichlorophenyl)acetamide
CID 1920872
N-(4-bromophenyl)-2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 1349881
N-(2-chloro-4-nitrophenyl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 3104802
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(4-chlorophenyl)methyl]acetamide
CID 1113743
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(3-chlorophenyl)acetamide
CID 1886269
2-(4-Chloro-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-1-[4-(3-chloro-phenyl)-piperazin-1yl]-ethanone
CID 21071081
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-ethylphenyl)acetamide
CID 744103

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,3-dichlorophenyl)acetamide?
The IUPAC name of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,3-dichlorophenyl)acetamide (CID 1113733) is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,3-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,3-dichlorophenyl)acetamide?
The canonical SMILES for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,3-dichlorophenyl)acetamide is Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,3-dichlorophenyl)acetamide?
The InChIKey is VWICLYVCHJXHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl3F3N3O/c1-6-10(15)12(13(17,18)19)21-22(6)5-9(23)20-8-4-2-3-7(14)11(8)16/h2-4H,5H2,1H3,(H,20,23).
What are the key properties of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,3-dichlorophenyl)acetamide?
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,3-dichlorophenyl)acetamide has a molecular weight of 386.59 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,3-dichlorophenyl)acetamide is sourced from PubChem (CID 1113733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).