2-chloro-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-3-pyridin-2-yl-5-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-5-pyridin-2-yl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;2-[4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine

C66H61Cl7F9N15O6 — CID 169424714

About 2-chloro-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-3-pyridin-2-yl-5-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-5-pyridin-2-yl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;2-[4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine

2-chloro-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-3-pyridin-2-yl-5-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-5-pyridin-2-yl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;2-[4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine (PubChem CID 169424714) has the molecular formula C66H61Cl7F9N15O6 and a molecular weight of 1579.47 g/mol. Its IUPAC name is 2-chloro-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-3-pyridin-2-yl-5-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-5-pyridin-2-yl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;2-[4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine.

Molecular Properties

• Compound Name: 2-chloro-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-3-pyridin-2-yl-5-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-5-pyridin-2-yl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;2-[4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
• PubChem CID: 169424714
• Molecular Formula: C66H61Cl7F9N15O6
• Molecular Weight: 1579.47 g/mol
• Exact Mass: 1575.26
• IUPAC Name: 2-chloro-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-3-pyridin-2-yl-5-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-5-pyridin-2-yl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;2-[4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
• SMILES: COc1cc(N2CCN(C(=O)CCl)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3nc(-c4ccccn4)c(Cl)c3C(F)(F)F)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3-c3ccccn3)CC2)ccc1Cl.FC(F)(F)c1[nH]nc(-c2ccccn2)c1Cl
• InChI: InChI=1S/2C22H20Cl2F3N5O2.C13H16Cl2N2O2.C9H5ClF3N3/c1-34-17-12-14(5-6-15(17)23)30-8-10-31(11-9-30)18(33)13-32-20(16-4-2-3-7-28-16)19(24)21(29-32)22(25,26)27;1-34-17-12-14(5-6-15(17)23)30-8-10-31(11-9-30)18(33)13-32-21(22(25,26)27)19(24)20(29-32)16-4-2-3-7-28-16;1-19-12-8-10(2-3-11(12)15)16-4-6-17(7-5-16)13(18)9-14;10-6-7(5-3-1-2-4-14-5)15-16-8(6)9(11,12)13/h2*2-7,12H,8-11,13H2,1H3;2-3,8H,4-7,9H2,1H3;1-4H,(H,15,16)
• InChIKey: DGAOXEPLJWLAGR-UHFFFAOYSA-N
• XLogP: 14.64
• TPSA: 201.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 14
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1579.47
LogP ≤ 5	14.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-3-pyridin-2-yl-5-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-5-pyridin-2-yl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;2-[4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?

The IUPAC name of 2-chloro-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-3-pyridin-2-yl-5-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-5-pyridin-2-yl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;2-[4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine (CID 169424714) is 2-chloro-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-3-pyridin-2-yl-5-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-5-pyridin-2-yl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;2-[4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine.

What is the SMILES notation for 2-chloro-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-3-pyridin-2-yl-5-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-5-pyridin-2-yl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;2-[4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?

The canonical SMILES for 2-chloro-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-3-pyridin-2-yl-5-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-5-pyridin-2-yl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;2-[4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine is COc1cc(N2CCN(C(=O)CCl)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3nc(-c4ccccn4)c(Cl)c3C(F)(F)F)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3-c3ccccn3)CC2)ccc1Cl.FC(F)(F)c1[nH]nc(-c2ccccn2)c1Cl.

What is the InChIKey of 2-chloro-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-3-pyridin-2-yl-5-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-5-pyridin-2-yl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;2-[4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?

The InChIKey is DGAOXEPLJWLAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H20Cl2F3N5O2.C13H16Cl2N2O2.C9H5ClF3N3/c1-34-17-12-14(5-6-15(17)23)30-8-10-31(11-9-30)18(33)13-32-20(16-4-2-3-7-28-16)19(24)21(29-32)22(25,26)27;1-34-17-12-14(5-6-15(17)23)30-8-10-31(11-9-30)18(33)13-32-21(22(25,26)27)19(24)20(29-32)16-4-2-3-7-28-16;1-19-12-8-10(2-3-11(12)15)16-4-6-17(7-5-16)13(18)9-14;10-6-7(5-3-1-2-4-14-5)15-16-8(6)9(11,12)13/h2*2-7,12H,8-11,13H2,1H3;2-3,8H,4-7,9H2,1H3;1-4H,(H,15,16).

What are the key properties of 2-chloro-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-3-pyridin-2-yl-5-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-5-pyridin-2-yl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;2-[4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?

2-chloro-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-3-pyridin-2-yl-5-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-5-pyridin-2-yl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;2-[4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine has a molecular weight of 1579.47 g/mol, XLogP of 14.64, 14 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-3-pyridin-2-yl-5-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-5-pyridin-2-yl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;2-[4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine is sourced from PubChem (CID 169424714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).