2-[5-ethyl-3-(4-fluoro-3,5-dimethylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluoro-3,5-dimethylphenyl)pyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluoro-3,5-dimethylphenyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(4-fluoro-3,5-dimethylphenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

C95H113F4N23O6 — CID 157313777

About 2-[5-ethyl-3-(4-fluoro-3,5-dimethylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluoro-3,5-dimethylphenyl)pyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluoro-3,5-dimethylphenyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(4-fluoro-3,5-dimethylphenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

2-[5-ethyl-3-(4-fluoro-3,5-dimethylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluoro-3,5-dimethylphenyl)pyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluoro-3,5-dimethylphenyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(4-fluoro-3,5-dimethylphenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (PubChem CID 157313777) has the molecular formula C95H113F4N23O6 and a molecular weight of 1749.10 g/mol. Its IUPAC name is 2-[5-ethyl-3-(4-fluoro-3,5-dimethylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluoro-3,5-dimethylphenyl)pyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluoro-3,5-dimethylphenyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(4-fluoro-3,5-dimethylphenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

• Compound Name: 2-[5-ethyl-3-(4-fluoro-3,5-dimethylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluoro-3,5-dimethylphenyl)pyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluoro-3,5-dimethylphenyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(4-fluoro-3,5-dimethylphenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
• PubChem CID: 157313777
• Molecular Formula: C95H113F4N23O6
• Molecular Weight: 1749.10 g/mol
• Exact Mass: 1747.92
• IUPAC Name: 2-[5-ethyl-3-(4-fluoro-3,5-dimethylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluoro-3,5-dimethylphenyl)pyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluoro-3,5-dimethylphenyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(4-fluoro-3,5-dimethylphenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
• SMILES: CCc1cc(-c2cc(C)c(F)c(C)c2)nn1CC(=O)N1CCN(c2cc(OC)ncn2)CC1.CCc1cc(-c2cc(C)c(F)c(C)c2)nn1CC(=O)N1CCN(c2ccccn2)CC1.CCc1cc(-c2cc(C)c(F)c(C)c2)nn1CC(=O)N1CCN(c2ncc(OC)cn2)CC1.CCc1cc(-c2cc(C)c(F)c(C)c2)nn1CC(=O)N1CCN(c2ncccn2)CC1
• InChI: InChI=1S/2C24H29FN6O2.C24H28FN5O.C23H27FN6O/c1-5-19-12-21(18-10-16(2)23(25)17(3)11-18)28-31(19)15-22(32)29-6-8-30(9-7-29)24-26-13-20(33-4)14-27-24;1-5-19-12-20(18-10-16(2)24(25)17(3)11-18)28-31(19)14-23(32)30-8-6-29(7-9-30)21-13-22(33-4)27-15-26-21;1-4-20-15-21(19-13-17(2)24(25)18(3)14-19)27-30(20)16-23(31)29-11-9-28(10-12-29)22-7-5-6-8-26-22;1-4-19-14-20(18-12-16(2)22(24)17(3)13-18)27-30(19)15-21(31)28-8-10-29(11-9-28)23-25-6-5-7-26-23/h10-14H,5-9,15H2,1-4H3;10-13,15H,5-9,14H2,1-4H3;5-8,13-15H,4,9-12,16H2,1-3H3;5-7,12-14H,4,8-11,15H2,1-3H3
• InChIKey: BDISJDWZDSWYGY-UHFFFAOYSA-N
• XLogP: 12.65
• TPSA: 274.17 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 22
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1749.10
LogP ≤ 5	12.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

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

The IUPAC name of 2-[5-ethyl-3-(4-fluoro-3,5-dimethylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluoro-3,5-dimethylphenyl)pyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluoro-3,5-dimethylphenyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(4-fluoro-3,5-dimethylphenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (CID 157313777) is 2-[5-ethyl-3-(4-fluoro-3,5-dimethylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluoro-3,5-dimethylphenyl)pyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluoro-3,5-dimethylphenyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(4-fluoro-3,5-dimethylphenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.

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

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

What is the InChIKey of 2-[5-ethyl-3-(4-fluoro-3,5-dimethylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluoro-3,5-dimethylphenyl)pyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluoro-3,5-dimethylphenyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(4-fluoro-3,5-dimethylphenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?

The InChIKey is BDISJDWZDSWYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H29FN6O2.C24H28FN5O.C23H27FN6O/c1-5-19-12-21(18-10-16(2)23(25)17(3)11-18)28-31(19)15-22(32)29-6-8-30(9-7-29)24-26-13-20(33-4)14-27-24;1-5-19-12-20(18-10-16(2)24(25)17(3)11-18)28-31(19)14-23(32)30-8-6-29(7-9-30)21-13-22(33-4)27-15-26-21;1-4-20-15-21(19-13-17(2)24(25)18(3)14-19)27-30(20)16-23(31)29-11-9-28(10-12-29)22-7-5-6-8-26-22;1-4-19-14-20(18-12-16(2)22(24)17(3)13-18)27-30(19)15-21(31)28-8-10-29(11-9-28)23-25-6-5-7-26-23/h10-14H,5-9,15H2,1-4H3;10-13,15H,5-9,14H2,1-4H3;5-8,13-15H,4,9-12,16H2,1-3H3;5-7,12-14H,4,8-11,15H2,1-3H3.

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

2-[5-ethyl-3-(4-fluoro-3,5-dimethylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluoro-3,5-dimethylphenyl)pyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluoro-3,5-dimethylphenyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(4-fluoro-3,5-dimethylphenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 1749.10 g/mol, XLogP of 12.65, 22 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-ethyl-3-(4-fluoro-3,5-dimethylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluoro-3,5-dimethylphenyl)pyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluoro-3,5-dimethylphenyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(4-fluoro-3,5-dimethylphenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 157313777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).