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

C15H15ClF3N3O — CID 744103

IUPAC2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)Cn1nc(C(F)(F)F)c(Cl)c1C
InChIInChI=1S/C15H15ClF3N3O/c1-3-10-6-4-5-7-11(10)20-12(23)8-22-9(2)13(16)14(21-22)15(17,18)19/h4-7H,3,8H2,1-2H3,(H,20,23)
InChIKeyVICCECNPIXHWCA-UHFFFAOYSA-N
MW345.75 g/mol
LogP4.06
Rot. Bonds4

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

2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-ethylphenyl)acetamide (PubChem CID 744103) has the molecular formula C15H15ClF3N3O and a molecular weight of 345.75 g/mol. Its IUPAC name is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-ethylphenyl)acetamide
PubChem CID744103
Molecular FormulaC15H15ClF3N3O
Molecular Weight345.75 g/mol
Exact Mass345.09
IUPAC Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)Cn1nc(C(F)(F)F)c(Cl)c1C
InChIInChI=1S/C15H15ClF3N3O/c1-3-10-6-4-5-7-11(10)20-12(23)8-22-9(2)13(16)14(21-22)15(17,18)19/h4-7H,3,8H2,1-2H3,(H,20,23)
InChIKeyVICCECNPIXHWCA-UHFFFAOYSA-N
XLogP4.06
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.75
LogP ≤ 54.06
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-ethylphenyl)acetamide?
The IUPAC name of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-ethylphenyl)acetamide (CID 744103) is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)Cn1nc(C(F)(F)F)c(Cl)c1C.
What is the InChIKey of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-ethylphenyl)acetamide?
The InChIKey is VICCECNPIXHWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF3N3O/c1-3-10-6-4-5-7-11(10)20-12(23)8-22-9(2)13(16)14(21-22)15(17,18)19/h4-7H,3,8H2,1-2H3,(H,20,23).
What are the key properties of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-ethylphenyl)acetamide?
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-ethylphenyl)acetamide has a molecular weight of 345.75 g/mol, XLogP of 4.06, 4 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-ethylphenyl)acetamide is sourced from PubChem (CID 744103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).