2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethanone

C23H23ClF3N5O2 — CID 57458505

About 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethanone

2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethanone (PubChem CID 57458505) has the molecular formula C23H23ClF3N5O2 and a molecular weight of 493.92 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethanone
• PubChem CID: 57458505
• Molecular Formula: C23H23ClF3N5O2
• Molecular Weight: 493.92 g/mol
• Exact Mass: 493.15
• IUPAC Name: 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethanone
• SMILES: O=C(COc1cc(C(F)(F)F)nn1-c1ccccc1Cl)N1CCN(CCc2ccccn2)CC1
• InChI: InChI=1S/C23H23ClF3N5O2/c24-18-6-1-2-7-19(18)32-22(15-20(29-32)23(25,26)27)34-16-21(33)31-13-11-30(12-14-31)10-8-17-5-3-4-9-28-17/h1-7,9,15H,8,10-14,16H2
• InChIKey: ACWMOKPRWSHKPS-UHFFFAOYSA-N
• XLogP: 3.71
• TPSA: 63.49 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.92
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethanone?

The IUPAC name of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethanone (CID 57458505) is 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethanone.

What is the SMILES notation for 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethanone?

The canonical SMILES for 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethanone is O=C(COc1cc(C(F)(F)F)nn1-c1ccccc1Cl)N1CCN(CCc2ccccn2)CC1.

What is the InChIKey of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethanone?

The InChIKey is ACWMOKPRWSHKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClF3N5O2/c24-18-6-1-2-7-19(18)32-22(15-20(29-32)23(25,26)27)34-16-21(33)31-13-11-30(12-14-31)10-8-17-5-3-4-9-28-17/h1-7,9,15H,8,10-14,16H2.

What are the key properties of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethanone?

2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethanone has a molecular weight of 493.92 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 57458505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).