2-[3-(3-chlorophenyl)-5-ethylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[3-(3-chlorophenyl)-5-ethylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-(3-chlorophenyl)-5-ethylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(3-chlorophenyl)-5-ethylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-(3-methoxypropyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone

C112H128Cl4FN29O9 — CID 157369644

About 2-[3-(3-chlorophenyl)-5-ethylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[3-(3-chlorophenyl)-5-ethylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-(3-chlorophenyl)-5-ethylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(3-chlorophenyl)-5-ethylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-(3-methoxypropyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone

2-[3-(3-chlorophenyl)-5-ethylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[3-(3-chlorophenyl)-5-ethylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-(3-chlorophenyl)-5-ethylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(3-chlorophenyl)-5-ethylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-(3-methoxypropyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone (PubChem CID 157369644) has the molecular formula C112H128Cl4FN29O9 and a molecular weight of 2185.26 g/mol. Its IUPAC name is 2-[3-(3-chlorophenyl)-5-ethylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[3-(3-chlorophenyl)-5-ethylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-(3-chlorophenyl)-5-ethylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(3-chlorophenyl)-5-ethylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-(3-methoxypropyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-[3-(3-chlorophenyl)-5-ethylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[3-(3-chlorophenyl)-5-ethylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-(3-chlorophenyl)-5-ethylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(3-chlorophenyl)-5-ethylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-(3-methoxypropyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone
• PubChem CID: 157369644
• Molecular Formula: C112H128Cl4FN29O9
• Molecular Weight: 2185.26 g/mol
• Exact Mass: 2181.92
• IUPAC Name: 2-[3-(3-chlorophenyl)-5-ethylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[3-(3-chlorophenyl)-5-ethylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-(3-chlorophenyl)-5-ethylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(3-chlorophenyl)-5-ethylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-(3-methoxypropyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone
• SMILES: CCc1cc(-c2cccc(Cl)c2)nn1CC(=O)N1CCN(c2cc(OC)ncn2)CC1.CCc1cc(-c2cccc(Cl)c2)nn1CC(=O)N1CCN(c2ccccn2)CC1.CCc1cc(-c2cccc(Cl)c2)nn1CC(=O)N1CCN(c2ncc(OC)cn2)CC1.CCc1cc(-c2cccc(Cl)c2)nn1CC(=O)N1CCN(c2ncccn2)CC1.COCCCc1cc(-c2ccc(F)c(C)c2)nn1CC(=O)N1CCN(c2ncc(OC)cn2)CC1
• InChI: InChI=1S/C25H31FN6O3.2C22H25ClN6O2.C22H24ClN5O.C21H23ClN6O/c1-18-13-19(6-7-22(18)26)23-14-20(5-4-12-34-2)32(29-23)17-24(33)30-8-10-31(11-9-30)25-27-15-21(35-3)16-28-25;1-3-18-12-20(16-5-4-6-17(23)11-16)26-29(18)15-21(30)27-7-9-28(10-8-27)22-24-13-19(31-2)14-25-22;1-3-18-12-19(16-5-4-6-17(23)11-16)26-29(18)14-22(30)28-9-7-27(8-10-28)20-13-21(31-2)25-15-24-20;1-2-19-15-20(17-6-5-7-18(23)14-17)25-28(19)16-22(29)27-12-10-26(11-13-27)21-8-3-4-9-24-21;1-2-18-14-19(16-5-3-6-17(22)13-16)25-28(18)15-20(29)26-9-11-27(12-10-26)21-23-7-4-8-24-21/h6-7,13-16H,4-5,8-12,17H2,1-3H3;4-6,11-14H,3,7-10,15H2,1-2H3;4-6,11-13,15H,3,7-10,14H2,1-2H3;3-9,14-15H,2,10-13,16H2,1H3;3-8,13-14H,2,9-12,15H2,1H3
• InChIKey: BJPIOVLAFHISDU-UHFFFAOYSA-N
• XLogP: 14.97
• TPSA: 359.78 Ų
• H-Bond Acceptors: 33
• Rotatable Bonds: 31
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2185.26
LogP ≤ 5	14.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chlorophenyl)-5-ethylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[3-(3-chlorophenyl)-5-ethylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-(3-chlorophenyl)-5-ethylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(3-chlorophenyl)-5-ethylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-(3-methoxypropyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone?

The IUPAC name of 2-[3-(3-chlorophenyl)-5-ethylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[3-(3-chlorophenyl)-5-ethylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-(3-chlorophenyl)-5-ethylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(3-chlorophenyl)-5-ethylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-(3-methoxypropyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone (CID 157369644) is 2-[3-(3-chlorophenyl)-5-ethylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[3-(3-chlorophenyl)-5-ethylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-(3-chlorophenyl)-5-ethylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(3-chlorophenyl)-5-ethylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-(3-methoxypropyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone.

What is the SMILES notation for 2-[3-(3-chlorophenyl)-5-ethylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[3-(3-chlorophenyl)-5-ethylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-(3-chlorophenyl)-5-ethylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(3-chlorophenyl)-5-ethylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-(3-methoxypropyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone?

The canonical SMILES for 2-[3-(3-chlorophenyl)-5-ethylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[3-(3-chlorophenyl)-5-ethylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-(3-chlorophenyl)-5-ethylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(3-chlorophenyl)-5-ethylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-(3-methoxypropyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone is CCc1cc(-c2cccc(Cl)c2)nn1CC(=O)N1CCN(c2cc(OC)ncn2)CC1.CCc1cc(-c2cccc(Cl)c2)nn1CC(=O)N1CCN(c2ccccn2)CC1.CCc1cc(-c2cccc(Cl)c2)nn1CC(=O)N1CCN(c2ncc(OC)cn2)CC1.CCc1cc(-c2cccc(Cl)c2)nn1CC(=O)N1CCN(c2ncccn2)CC1.COCCCc1cc(-c2ccc(F)c(C)c2)nn1CC(=O)N1CCN(c2ncc(OC)cn2)CC1.

What is the InChIKey of 2-[3-(3-chlorophenyl)-5-ethylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[3-(3-chlorophenyl)-5-ethylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-(3-chlorophenyl)-5-ethylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(3-chlorophenyl)-5-ethylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-(3-methoxypropyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone?

The InChIKey is BJPIOVLAFHISDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN6O3.2C22H25ClN6O2.C22H24ClN5O.C21H23ClN6O/c1-18-13-19(6-7-22(18)26)23-14-20(5-4-12-34-2)32(29-23)17-24(33)30-8-10-31(11-9-30)25-27-15-21(35-3)16-28-25;1-3-18-12-20(16-5-4-6-17(23)11-16)26-29(18)15-21(30)27-7-9-28(10-8-27)22-24-13-19(31-2)14-25-22;1-3-18-12-19(16-5-4-6-17(23)11-16)26-29(18)14-22(30)28-9-7-27(8-10-28)20-13-21(31-2)25-15-24-20;1-2-19-15-20(17-6-5-7-18(23)14-17)25-28(19)16-22(29)27-12-10-26(11-13-27)21-8-3-4-9-24-21;1-2-18-14-19(16-5-3-6-17(22)13-16)25-28(18)15-20(29)26-9-11-27(12-10-26)21-23-7-4-8-24-21/h6-7,13-16H,4-5,8-12,17H2,1-3H3;4-6,11-14H,3,7-10,15H2,1-2H3;4-6,11-13,15H,3,7-10,14H2,1-2H3;3-9,14-15H,2,10-13,16H2,1H3;3-8,13-14H,2,9-12,15H2,1H3.

What are the key properties of 2-[3-(3-chlorophenyl)-5-ethylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[3-(3-chlorophenyl)-5-ethylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-(3-chlorophenyl)-5-ethylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(3-chlorophenyl)-5-ethylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-(3-methoxypropyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone?

2-[3-(3-chlorophenyl)-5-ethylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[3-(3-chlorophenyl)-5-ethylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-(3-chlorophenyl)-5-ethylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(3-chlorophenyl)-5-ethylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-(3-methoxypropyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone has a molecular weight of 2185.26 g/mol, XLogP of 14.97, 31 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(3-chlorophenyl)-5-ethylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[3-(3-chlorophenyl)-5-ethylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-(3-chlorophenyl)-5-ethylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(3-chlorophenyl)-5-ethylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-(3-methoxypropyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 157369644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).