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

C13H9Cl3F3N3O — CID 1113732

IUPAC2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,5-dichlorophenyl)acetamide
SMILESCc1c(Cl)c(C(F)(F)F)nn1CC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H9Cl3F3N3O/c1-6-11(16)12(13(17,18)19)21-22(6)5-10(23)20-9-4-7(14)2-3-8(9)15/h2-4H,5H2,1H3,(H,20,23)
InChIKeyHIDONTVELLKHIW-UHFFFAOYSA-N
MW386.59 g/mol
LogP4.81
Rot. Bonds3

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

2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,5-dichlorophenyl)acetamide (PubChem CID 1113732) 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-(2,5-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,5-dichlorophenyl)acetamide
PubChem CID1113732
Molecular FormulaC13H9Cl3F3N3O
Molecular Weight386.59 g/mol
Exact Mass384.98
IUPAC Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,5-dichlorophenyl)acetamide
SMILESCc1c(Cl)c(C(F)(F)F)nn1CC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H9Cl3F3N3O/c1-6-11(16)12(13(17,18)19)21-22(6)5-10(23)20-9-4-7(14)2-3-8(9)15/h2-4H,5H2,1H3,(H,20,23)
InChIKeyHIDONTVELLKHIW-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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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,5-dichlorophenyl)acetamide?
The IUPAC name of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,5-dichlorophenyl)acetamide (CID 1113732) is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,5-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,5-dichlorophenyl)acetamide?
The canonical SMILES for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,5-dichlorophenyl)acetamide is Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,5-dichlorophenyl)acetamide?
The InChIKey is HIDONTVELLKHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl3F3N3O/c1-6-11(16)12(13(17,18)19)21-22(6)5-10(23)20-9-4-7(14)2-3-8(9)15/h2-4H,5H2,1H3,(H,20,23).
What are the key properties of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,5-dichlorophenyl)acetamide?
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,5-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-(2,5-dichlorophenyl)acetamide is sourced from PubChem (CID 1113732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).