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

C107H117N23O7 — CID 157348645

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

2-[3-(3,4-dimethylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(3-methylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone (PubChem CID 157348645) has the molecular formula C107H117N23O7 and a molecular weight of 1837.27 g/mol. Its IUPAC name is 2-[3-(3,4-dimethylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(3-methylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-[3-(3,4-dimethylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(3-methylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone
• PubChem CID: 157348645
• Molecular Formula: C107H117N23O7
• Molecular Weight: 1837.27 g/mol
• Exact Mass: 1835.95
• IUPAC Name: 2-[3-(3,4-dimethylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(3-methylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone
• SMILES: CCc1cc(-c2cccc(C)c2)nn1CC(=O)N1CCN(c2ncc(OC)cn2)CC1.COc1cc(N2CCN(C(=O)Cn3nc(-c4ccc(C)c(C)c4)cc3-c3ccccc3)CC2)ncn1.COc1cnc(N2CCN(C(=O)Cn3nc(-c4ccc(C)c(C)c4)cc3-c3ccccc3)CC2)nc1.Cc1ccc(-c2cc(-c3ccccc3)n(CC(=O)N3CCN(c4ccccn4)CC3)n2)cc1C
• InChI: InChI=1S/2C28H30N6O2.C28H29N5O.C23H28N6O2/c1-20-9-10-23(15-21(20)2)25-16-26(22-7-5-4-6-8-22)34(31-25)19-27(35)32-11-13-33(14-12-32)28-29-17-24(36-3)18-30-28;1-20-9-10-23(15-21(20)2)24-16-25(22-7-5-4-6-8-22)34(31-24)18-28(35)33-13-11-32(12-14-33)26-17-27(36-3)30-19-29-26;1-21-11-12-24(18-22(21)2)25-19-26(23-8-4-3-5-9-23)33(30-25)20-28(34)32-16-14-31(15-17-32)27-10-6-7-13-29-27;1-4-19-13-21(18-7-5-6-17(2)12-18)26-29(19)16-22(30)27-8-10-28(11-9-27)23-24-14-20(31-3)15-25-23/h4-10,15-18H,11-14,19H2,1-3H3;4-10,15-17,19H,11-14,18H2,1-3H3;3-13,18-19H,14-17,20H2,1-2H3;5-7,12-15H,4,8-11,16H2,1-3H3
• InChIKey: BHGSCZKFRODDFX-UHFFFAOYSA-N
• XLogP: 15.11
• TPSA: 283.40 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 23
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1837.27
LogP ≤ 5	15.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

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

The IUPAC name of 2-[3-(3,4-dimethylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(3-methylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone (CID 157348645) is 2-[3-(3,4-dimethylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(3-methylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone.

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

The canonical SMILES for 2-[3-(3,4-dimethylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(3-methylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone is CCc1cc(-c2cccc(C)c2)nn1CC(=O)N1CCN(c2ncc(OC)cn2)CC1.COc1cc(N2CCN(C(=O)Cn3nc(-c4ccc(C)c(C)c4)cc3-c3ccccc3)CC2)ncn1.COc1cnc(N2CCN(C(=O)Cn3nc(-c4ccc(C)c(C)c4)cc3-c3ccccc3)CC2)nc1.Cc1ccc(-c2cc(-c3ccccc3)n(CC(=O)N3CCN(c4ccccn4)CC3)n2)cc1C.

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

The InChIKey is BHGSCZKFRODDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H30N6O2.C28H29N5O.C23H28N6O2/c1-20-9-10-23(15-21(20)2)25-16-26(22-7-5-4-6-8-22)34(31-25)19-27(35)32-11-13-33(14-12-32)28-29-17-24(36-3)18-30-28;1-20-9-10-23(15-21(20)2)24-16-25(22-7-5-4-6-8-22)34(31-24)18-28(35)33-13-11-32(12-14-33)26-17-27(36-3)30-19-29-26;1-21-11-12-24(18-22(21)2)25-19-26(23-8-4-3-5-9-23)33(30-25)20-28(34)32-16-14-31(15-17-32)27-10-6-7-13-29-27;1-4-19-13-21(18-7-5-6-17(2)12-18)26-29(19)16-22(30)27-8-10-28(11-9-27)23-24-14-20(31-3)15-25-23/h4-10,15-18H,11-14,19H2,1-3H3;4-10,15-17,19H,11-14,18H2,1-3H3;3-13,18-19H,14-17,20H2,1-2H3;5-7,12-15H,4,8-11,16H2,1-3H3.

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

2-[3-(3,4-dimethylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(3-methylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone has a molecular weight of 1837.27 g/mol, XLogP of 15.11, 23 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(3,4-dimethylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(3-methylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 157348645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).