3-cyclohexyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]propanamide

C₁₉H₂₈N₆O — CID 122327081

About 3-cyclohexyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]propanamide

3-cyclohexyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]propanamide (PubChem CID 122327081) has the molecular formula C₁₉H₂₈N₆O and a molecular weight of 356.47 g/mol. Its IUPAC name is 3-cyclohexyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]propanamide.

Molecular Properties

• Compound Name: 3-cyclohexyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]propanamide
• PubChem CID: 122327081
• Molecular Formula: C₁₉H₂₈N₆O
• Molecular Weight: 356.47 g/mol
• Exact Mass: 356.23
• IUPAC Name: 3-cyclohexyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]propanamide
• SMILES: Cc1ccn(-c2ccc(NCCNC(=O)CCC3CCCCC3)nn2)n1
• InChI: InChI=1S/C19H28N6O/c1-15-11-14-25(24-15)18-9-8-17(22-23-18)20-12-13-21-19(26)10-7-16-5-3-2-4-6-16/h8-9,11,14,16H,2-7,10,12-13H2,1H3,(H,20,22)(H,21,26)
• InChIKey: XVXHUSMUNRNMEZ-UHFFFAOYSA-N
• XLogP: 2.86
• TPSA: 84.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.47
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]propanamide?

The IUPAC name of 3-cyclohexyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]propanamide (CID 122327081) is 3-cyclohexyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]propanamide.

What is the SMILES notation for 3-cyclohexyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]propanamide?

The canonical SMILES for 3-cyclohexyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]propanamide is Cc1ccn(-c2ccc(NCCNC(=O)CCC3CCCCC3)nn2)n1.

What is the InChIKey of 3-cyclohexyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]propanamide?

The InChIKey is XVXHUSMUNRNMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-15-11-14-25(24-15)18-9-8-17(22-23-18)20-12-13-21-19(26)10-7-16-5-3-2-4-6-16/h8-9,11,14,16H,2-7,10,12-13H2,1H3,(H,20,22)(H,21,26).

What are the key properties of 3-cyclohexyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]propanamide?

3-cyclohexyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]propanamide has a molecular weight of 356.47 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclohexyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]propanamide is sourced from PubChem (CID 122327081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 122327081 — identifiers, structure, computed properties (public domain)

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