2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide

C23H20ClF3N4O2 — CID 57458327

About 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide

2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide (PubChem CID 57458327) has the molecular formula C23H20ClF3N4O2 and a molecular weight of 476.89 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

• Compound Name: 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide
• PubChem CID: 57458327
• Molecular Formula: C23H20ClF3N4O2
• Molecular Weight: 476.89 g/mol
• Exact Mass: 476.12
• IUPAC Name: 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide
• SMILES: Cc1[nH]c2ccccc2c1CCNC(=O)COc1cc(C(F)(F)F)nn1-c1ccccc1Cl
• InChI: InChI=1S/C23H20ClF3N4O2/c1-14-15(16-6-2-4-8-18(16)29-14)10-11-28-21(32)13-33-22-12-20(23(25,26)27)30-31(22)19-9-5-3-7-17(19)24/h2-9,12,29H,10-11,13H2,1H3,(H,28,32)
• InChIKey: FAFLTFNKBQEJOO-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 71.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.89
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide (CID 57458327) is 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide.

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

The canonical SMILES for 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide is Cc1[nH]c2ccccc2c1CCNC(=O)COc1cc(C(F)(F)F)nn1-c1ccccc1Cl.

What is the InChIKey of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide?

The InChIKey is FAFLTFNKBQEJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClF3N4O2/c1-14-15(16-6-2-4-8-18(16)29-14)10-11-28-21(32)13-33-22-12-20(23(25,26)27)30-31(22)19-9-5-3-7-17(19)24/h2-9,12,29H,10-11,13H2,1H3,(H,28,32).

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

2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide has a molecular weight of 476.89 g/mol, XLogP of 5.07, 7 rotatable bonds, 2 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-methyl-1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 57458327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).