1-cyclopropylethanone;3-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]amino]-N-pentyl-N-propylpropanamide

C24H37F3N4O3 — CID 171493537

About 1-cyclopropylethanone;3-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]amino]-N-pentyl-N-propylpropanamide

1-cyclopropylethanone;3-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]amino]-N-pentyl-N-propylpropanamide (PubChem CID 171493537) has the molecular formula C24H37F3N4O3 and a molecular weight of 486.58 g/mol. Its IUPAC name is 1-cyclopropylethanone;3-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]amino]-N-pentyl-N-propylpropanamide.

Molecular Properties

• Compound Name: 1-cyclopropylethanone;3-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]amino]-N-pentyl-N-propylpropanamide
• PubChem CID: 171493537
• Molecular Formula: C24H37F3N4O3
• Molecular Weight: 486.58 g/mol
• Exact Mass: 486.28
• IUPAC Name: 1-cyclopropylethanone;3-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]amino]-N-pentyl-N-propylpropanamide
• SMILES: CC(=O)C1CC1.CCCCCN(CCC)C(=O)CCNC1CCc2c1n[nH]c(=O)c2C(F)(F)F
• InChI: InChI=1S/C19H29F3N4O2.C5H8O/c1-3-5-6-12-26(11-4-2)15(27)9-10-23-14-8-7-13-16(19(20,21)22)18(28)25-24-17(13)14;1-4(6)5-2-3-5/h14,23H,3-12H2,1-2H3,(H,25,28);5H,2-3H2,1H3
• InChIKey: HWHMKZIJJICLGA-UHFFFAOYSA-N
• XLogP: 4.17
• TPSA: 95.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.58
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylethanone;3-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]amino]-N-pentyl-N-propylpropanamide?

The IUPAC name of 1-cyclopropylethanone;3-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]amino]-N-pentyl-N-propylpropanamide (CID 171493537) is 1-cyclopropylethanone;3-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]amino]-N-pentyl-N-propylpropanamide.

What is the SMILES notation for 1-cyclopropylethanone;3-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]amino]-N-pentyl-N-propylpropanamide?

The canonical SMILES for 1-cyclopropylethanone;3-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]amino]-N-pentyl-N-propylpropanamide is CC(=O)C1CC1.CCCCCN(CCC)C(=O)CCNC1CCc2c1n[nH]c(=O)c2C(F)(F)F.

What is the InChIKey of 1-cyclopropylethanone;3-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]amino]-N-pentyl-N-propylpropanamide?

The InChIKey is HWHMKZIJJICLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29F3N4O2.C5H8O/c1-3-5-6-12-26(11-4-2)15(27)9-10-23-14-8-7-13-16(19(20,21)22)18(28)25-24-17(13)14;1-4(6)5-2-3-5/h14,23H,3-12H2,1-2H3,(H,25,28);5H,2-3H2,1H3.

What are the key properties of 1-cyclopropylethanone;3-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]amino]-N-pentyl-N-propylpropanamide?

1-cyclopropylethanone;3-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]amino]-N-pentyl-N-propylpropanamide has a molecular weight of 486.58 g/mol, XLogP of 4.17, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropylethanone;3-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]amino]-N-pentyl-N-propylpropanamide is sourced from PubChem (CID 171493537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).