2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(2,4-dimethylphenyl)ethyl]acetamide

C22H21ClF3N3O2 — CID 67337764

About 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(2,4-dimethylphenyl)ethyl]acetamide

2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(2,4-dimethylphenyl)ethyl]acetamide (PubChem CID 67337764) has the molecular formula C22H21ClF3N3O2 and a molecular weight of 451.88 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(2,4-dimethylphenyl)ethyl]acetamide.

Molecular Properties

• Compound Name: 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(2,4-dimethylphenyl)ethyl]acetamide
• PubChem CID: 67337764
• Molecular Formula: C22H21ClF3N3O2
• Molecular Weight: 451.88 g/mol
• Exact Mass: 451.13
• IUPAC Name: 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(2,4-dimethylphenyl)ethyl]acetamide
• SMILES: Cc1ccc(CCNC(=O)COc2cc(C(F)(F)F)nn2-c2ccccc2Cl)c(C)c1
• InChI: InChI=1S/C22H21ClF3N3O2/c1-14-7-8-16(15(2)11-14)9-10-27-20(30)13-31-21-12-19(22(24,25)26)28-29(21)18-6-4-3-5-17(18)23/h3-8,11-12H,9-10,13H2,1-2H3,(H,27,30)
• InChIKey: XDDUPHQLTKQYDM-UHFFFAOYSA-N
• XLogP: 4.90
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.88
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(2,4-dimethylphenyl)ethyl]acetamide?

The IUPAC name of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(2,4-dimethylphenyl)ethyl]acetamide (CID 67337764) is 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(2,4-dimethylphenyl)ethyl]acetamide.

What is the SMILES notation for 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(2,4-dimethylphenyl)ethyl]acetamide?

The canonical SMILES for 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(2,4-dimethylphenyl)ethyl]acetamide is Cc1ccc(CCNC(=O)COc2cc(C(F)(F)F)nn2-c2ccccc2Cl)c(C)c1.

What is the InChIKey of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(2,4-dimethylphenyl)ethyl]acetamide?

The InChIKey is XDDUPHQLTKQYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClF3N3O2/c1-14-7-8-16(15(2)11-14)9-10-27-20(30)13-31-21-12-19(22(24,25)26)28-29(21)18-6-4-3-5-17(18)23/h3-8,11-12H,9-10,13H2,1-2H3,(H,27,30).

What are the key properties of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(2,4-dimethylphenyl)ethyl]acetamide?

2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(2,4-dimethylphenyl)ethyl]acetamide has a molecular weight of 451.88 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(2,4-dimethylphenyl)ethyl]acetamide is sourced from PubChem (CID 67337764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).