1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(3,5-diphenylpyrazol-1-yl)ethanone;1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-(3,5-diphenylpyrazol-1-yl)ethanone;2-[4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]piperazin-1-yl]benzonitrile;2-(3,5-diphenylpyrazol-1-yl)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone

C108H102Cl2N20O5 — CID 159263620

About 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(3,5-diphenylpyrazol-1-yl)ethanone;1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-(3,5-diphenylpyrazol-1-yl)ethanone;2-[4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]piperazin-1-yl]benzonitrile;2-(3,5-diphenylpyrazol-1-yl)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone

1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(3,5-diphenylpyrazol-1-yl)ethanone;1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-(3,5-diphenylpyrazol-1-yl)ethanone;2-[4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]piperazin-1-yl]benzonitrile;2-(3,5-diphenylpyrazol-1-yl)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone (PubChem CID 159263620) has the molecular formula C108H102Cl2N20O5 and a molecular weight of 1831.04 g/mol. Its IUPAC name is 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(3,5-diphenylpyrazol-1-yl)ethanone;1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-(3,5-diphenylpyrazol-1-yl)ethanone;2-[4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]piperazin-1-yl]benzonitrile;2-(3,5-diphenylpyrazol-1-yl)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(3,5-diphenylpyrazol-1-yl)ethanone;1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-(3,5-diphenylpyrazol-1-yl)ethanone;2-[4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]piperazin-1-yl]benzonitrile;2-(3,5-diphenylpyrazol-1-yl)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone
• PubChem CID: 159263620
• Molecular Formula: C108H102Cl2N20O5
• Molecular Weight: 1831.04 g/mol
• Exact Mass: 1828.77
• IUPAC Name: 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(3,5-diphenylpyrazol-1-yl)ethanone;1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-(3,5-diphenylpyrazol-1-yl)ethanone;2-[4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]piperazin-1-yl]benzonitrile;2-(3,5-diphenylpyrazol-1-yl)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone
• SMILES: CCOc1ccccc1N1CCN(C(=O)Cn2nc(-c3ccccc3)cc2-c2ccccc2)CC1.N#Cc1ccccc1N1CCN(C(=O)Cn2nc(-c3ccccc3)cc2-c2ccccc2)CC1.O=C(Cn1nc(-c2ccccc2)cc1-c1ccccc1)N1CCN(c2ccc(Cl)cn2)CC1.O=C(Cn1nc(-c2ccccc2)cc1-c1ccccc1)N1CCN(c2ccc(Cl)nn2)CC1
• InChI: InChI=1S/C29H30N4O2.C28H25N5O.C26H24ClN5O.C25H23ClN6O/c1-2-35-28-16-10-9-15-26(28)31-17-19-32(20-18-31)29(34)22-33-27(24-13-7-4-8-14-24)21-25(30-33)23-11-5-3-6-12-23;29-20-24-13-7-8-14-26(24)31-15-17-32(18-16-31)28(34)21-33-27(23-11-5-2-6-12-23)19-25(30-33)22-9-3-1-4-10-22;27-22-11-12-25(28-18-22)30-13-15-31(16-14-30)26(33)19-32-24(21-9-5-2-6-10-21)17-23(29-32)20-7-3-1-4-8-20;26-23-11-12-24(28-27-23)30-13-15-31(16-14-30)25(33)18-32-22(20-9-5-2-6-10-20)17-21(29-32)19-7-3-1-4-8-19/h3-16,21H,2,17-20,22H2,1H3;1-14,19H,15-18,21H2;1-12,17-18H,13-16,19H2;1-12,17H,13-16,18H2
• InChIKey: KWUZIIABAXVARS-UHFFFAOYSA-N
• XLogP: 18.03
• TPSA: 237.17 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 22
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1831.04
LogP ≤ 5	18.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(3,5-diphenylpyrazol-1-yl)ethanone;1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-(3,5-diphenylpyrazol-1-yl)ethanone;2-[4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]piperazin-1-yl]benzonitrile;2-(3,5-diphenylpyrazol-1-yl)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone?

The IUPAC name of 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(3,5-diphenylpyrazol-1-yl)ethanone;1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-(3,5-diphenylpyrazol-1-yl)ethanone;2-[4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]piperazin-1-yl]benzonitrile;2-(3,5-diphenylpyrazol-1-yl)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone (CID 159263620) is 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(3,5-diphenylpyrazol-1-yl)ethanone;1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-(3,5-diphenylpyrazol-1-yl)ethanone;2-[4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]piperazin-1-yl]benzonitrile;2-(3,5-diphenylpyrazol-1-yl)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone.

What is the SMILES notation for 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(3,5-diphenylpyrazol-1-yl)ethanone;1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-(3,5-diphenylpyrazol-1-yl)ethanone;2-[4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]piperazin-1-yl]benzonitrile;2-(3,5-diphenylpyrazol-1-yl)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone?

The canonical SMILES for 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(3,5-diphenylpyrazol-1-yl)ethanone;1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-(3,5-diphenylpyrazol-1-yl)ethanone;2-[4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]piperazin-1-yl]benzonitrile;2-(3,5-diphenylpyrazol-1-yl)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone is CCOc1ccccc1N1CCN(C(=O)Cn2nc(-c3ccccc3)cc2-c2ccccc2)CC1.N#Cc1ccccc1N1CCN(C(=O)Cn2nc(-c3ccccc3)cc2-c2ccccc2)CC1.O=C(Cn1nc(-c2ccccc2)cc1-c1ccccc1)N1CCN(c2ccc(Cl)cn2)CC1.O=C(Cn1nc(-c2ccccc2)cc1-c1ccccc1)N1CCN(c2ccc(Cl)nn2)CC1.

What is the InChIKey of 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(3,5-diphenylpyrazol-1-yl)ethanone;1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-(3,5-diphenylpyrazol-1-yl)ethanone;2-[4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]piperazin-1-yl]benzonitrile;2-(3,5-diphenylpyrazol-1-yl)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone?

The InChIKey is KWUZIIABAXVARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O2.C28H25N5O.C26H24ClN5O.C25H23ClN6O/c1-2-35-28-16-10-9-15-26(28)31-17-19-32(20-18-31)29(34)22-33-27(24-13-7-4-8-14-24)21-25(30-33)23-11-5-3-6-12-23;29-20-24-13-7-8-14-26(24)31-15-17-32(18-16-31)28(34)21-33-27(23-11-5-2-6-12-23)19-25(30-33)22-9-3-1-4-10-22;27-22-11-12-25(28-18-22)30-13-15-31(16-14-30)26(33)19-32-24(21-9-5-2-6-10-21)17-23(29-32)20-7-3-1-4-8-20;26-23-11-12-24(28-27-23)30-13-15-31(16-14-30)25(33)18-32-22(20-9-5-2-6-10-20)17-21(29-32)19-7-3-1-4-8-19/h3-16,21H,2,17-20,22H2,1H3;1-14,19H,15-18,21H2;1-12,17-18H,13-16,19H2;1-12,17H,13-16,18H2.

What are the key properties of 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(3,5-diphenylpyrazol-1-yl)ethanone;1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-(3,5-diphenylpyrazol-1-yl)ethanone;2-[4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]piperazin-1-yl]benzonitrile;2-(3,5-diphenylpyrazol-1-yl)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone?

1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(3,5-diphenylpyrazol-1-yl)ethanone;1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-(3,5-diphenylpyrazol-1-yl)ethanone;2-[4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]piperazin-1-yl]benzonitrile;2-(3,5-diphenylpyrazol-1-yl)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone has a molecular weight of 1831.04 g/mol, XLogP of 18.03, 22 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(3,5-diphenylpyrazol-1-yl)ethanone;1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-(3,5-diphenylpyrazol-1-yl)ethanone;2-[4-[2-(3,5-diphenylpyrazol-1-yl)acetyl]piperazin-1-yl]benzonitrile;2-(3,5-diphenylpyrazol-1-yl)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 159263620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).