3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-N-(2-piperidin-1-ylethyl)propanamide

C24H37N7O — CID 20946950

About 3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-N-(2-piperidin-1-ylethyl)propanamide

3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-N-(2-piperidin-1-ylethyl)propanamide (PubChem CID 20946950) has the molecular formula C24H37N7O and a molecular weight of 439.61 g/mol. Its IUPAC name is 3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-N-(2-piperidin-1-ylethyl)propanamide.

Molecular Properties

• Compound Name: 3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-N-(2-piperidin-1-ylethyl)propanamide
• PubChem CID: 20946950
• Molecular Formula: C24H37N7O
• Molecular Weight: 439.61 g/mol
• Exact Mass: 439.31
• IUPAC Name: 3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-N-(2-piperidin-1-ylethyl)propanamide
• SMILES: Cc1nn(-c2ccc(N3CCCCC3)nn2)c(C)c1CCC(=O)NCCN1CCCCC1
• InChI: InChI=1S/C24H37N7O/c1-19-21(9-12-24(32)25-13-18-29-14-5-3-6-15-29)20(2)31(28-19)23-11-10-22(26-27-23)30-16-7-4-8-17-30/h10-11H,3-9,12-18H2,1-2H3,(H,25,32)
• InChIKey: JBPFSFVPAHCRKZ-UHFFFAOYSA-N
• XLogP: 2.80
• TPSA: 79.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.61
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-N-(2-piperidin-1-ylethyl)propanamide?

The IUPAC name of 3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-N-(2-piperidin-1-ylethyl)propanamide (CID 20946950) is 3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-N-(2-piperidin-1-ylethyl)propanamide.

What is the SMILES notation for 3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-N-(2-piperidin-1-ylethyl)propanamide?

The canonical SMILES for 3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-N-(2-piperidin-1-ylethyl)propanamide is Cc1nn(-c2ccc(N3CCCCC3)nn2)c(C)c1CCC(=O)NCCN1CCCCC1.

What is the InChIKey of 3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-N-(2-piperidin-1-ylethyl)propanamide?

The InChIKey is JBPFSFVPAHCRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N7O/c1-19-21(9-12-24(32)25-13-18-29-14-5-3-6-15-29)20(2)31(28-19)23-11-10-22(26-27-23)30-16-7-4-8-17-30/h10-11H,3-9,12-18H2,1-2H3,(H,25,32).

What are the key properties of 3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-N-(2-piperidin-1-ylethyl)propanamide?

3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-N-(2-piperidin-1-ylethyl)propanamide has a molecular weight of 439.61 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-N-(2-piperidin-1-ylethyl)propanamide is sourced from PubChem (CID 20946950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).