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

C13H10Cl2F3N3O — CID 1113731

IUPAC2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-chlorophenyl)acetamide
SMILESCc1c(Cl)c(C(F)(F)F)nn1CC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H10Cl2F3N3O/c1-7-11(15)12(13(16,17)18)20-21(7)6-10(22)19-9-4-2-8(14)3-5-9/h2-5H,6H2,1H3,(H,19,22)
InChIKeyVVGQETSJLCAURU-UHFFFAOYSA-N
MW352.14 g/mol
LogP4.16
Rot. Bonds3

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

2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-chlorophenyl)acetamide (PubChem CID 1113731) has the molecular formula C13H10Cl2F3N3O and a molecular weight of 352.14 g/mol. Its IUPAC name is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-chlorophenyl)acetamide
PubChem CID1113731
Molecular FormulaC13H10Cl2F3N3O
Molecular Weight352.14 g/mol
Exact Mass351.02
IUPAC Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-chlorophenyl)acetamide
SMILESCc1c(Cl)c(C(F)(F)F)nn1CC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H10Cl2F3N3O/c1-7-11(15)12(13(16,17)18)20-21(7)6-10(22)19-9-4-2-8(14)3-5-9/h2-5H,6H2,1H3,(H,19,22)
InChIKeyVVGQETSJLCAURU-UHFFFAOYSA-N
XLogP4.16
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.14
LogP ≤ 54.16
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-(4-chlorophenyl)acetamide?
The IUPAC name of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-chlorophenyl)acetamide (CID 1113731) is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-chlorophenyl)acetamide is Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-chlorophenyl)acetamide?
The InChIKey is VVGQETSJLCAURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2F3N3O/c1-7-11(15)12(13(16,17)18)20-21(7)6-10(22)19-9-4-2-8(14)3-5-9/h2-5H,6H2,1H3,(H,19,22).
What are the key properties of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-chlorophenyl)acetamide?
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-chlorophenyl)acetamide has a molecular weight of 352.14 g/mol, XLogP of 4.16, 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-(4-chlorophenyl)acetamide is sourced from PubChem (CID 1113731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).