1-[4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one

C20H30N8O2 — CID 122336778

About 1-[4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one

1-[4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one (PubChem CID 122336778) has the molecular formula C20H30N8O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 1-[4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one.

Molecular Properties

• Compound Name: 1-[4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one
• PubChem CID: 122336778
• Molecular Formula: C20H30N8O2
• Molecular Weight: 414.51 g/mol
• Exact Mass: 414.25
• IUPAC Name: 1-[4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one
• SMILES: CC(C(=O)N1CCN(c2ccc(N3CCN(CCO)CC3)nn2)CC1)n1cccn1
• InChI: InChI=1S/C20H30N8O2/c1-17(28-6-2-5-21-28)20(30)27-13-11-26(12-14-27)19-4-3-18(22-23-19)25-9-7-24(8-10-25)15-16-29/h2-6,17,29H,7-16H2,1H3
• InChIKey: VIOZXAOATYKMHO-UHFFFAOYSA-N
• XLogP: -0.30
• TPSA: 93.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.51
LogP ≤ 5	-0.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one?

The IUPAC name of 1-[4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one (CID 122336778) is 1-[4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one.

What is the SMILES notation for 1-[4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one?

The canonical SMILES for 1-[4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one is CC(C(=O)N1CCN(c2ccc(N3CCN(CCO)CC3)nn2)CC1)n1cccn1.

What is the InChIKey of 1-[4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one?

The InChIKey is VIOZXAOATYKMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N8O2/c1-17(28-6-2-5-21-28)20(30)27-13-11-26(12-14-27)19-4-3-18(22-23-19)25-9-7-24(8-10-25)15-16-29/h2-6,17,29H,7-16H2,1H3.

What are the key properties of 1-[4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one?

1-[4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one has a molecular weight of 414.51 g/mol, XLogP of -0.30, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one is sourced from PubChem (CID 122336778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).