N-butyl-3-[[6,6-dimethyl-3-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-7-yl]amino]-N-propylpropanamide;cyclopropanecarbaldehyde;ethane

About N-butyl-3-[[6,6-dimethyl-3-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-7-yl]amino]-N-propylpropanamide;cyclopropanecarbaldehyde;ethane

N-butyl-3-[[6,6-dimethyl-3-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-7-yl]amino]-N-propylpropanamide;cyclopropanecarbaldehyde;ethane (PubChem CID 171493191) has the molecular formula C26H43F3N4O3 and a molecular weight of 516.65 g/mol. Its IUPAC name is N-butyl-3-[[6,6-dimethyl-3-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-7-yl]amino]-N-propylpropanamide;cyclopropanecarbaldehyde;ethane.

Molecular Properties

Compound Name	N-butyl-3-[[6,6-dimethyl-3-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-7-yl]amino]-N-propylpropanamide;cyclopropanecarbaldehyde;ethane
PubChem CID	171493191
Molecular Formula	C26H43F3N4O3
Molecular Weight	516.65 g/mol
Exact Mass	516.33
IUPAC Name	N-butyl-3-[[6,6-dimethyl-3-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-7-yl]amino]-N-propylpropanamide;cyclopropanecarbaldehyde;ethane
SMILES	CC.CCCCN(CCC)C(=O)CCNC1c2n[nH]c(=O)c(C(F)(F)F)c2CC1(C)C.O=CC1CC1
InChI	InChI=1S/C20H31F3N4O2.C4H6O.C2H6/c1-5-7-11-27(10-6-2)14(28)8-9-24-17-16-13(12-19(17,3)4)15(20(21,22)23)18(29)26-25-16;5-3-4-1-2-4;1-2/h17,24H,5-12H2,1-4H3,(H,26,29);3-4H,1-2H2;1-2H3
InChIKey	IJLSSKPUUMMQTF-UHFFFAOYSA-N
XLogP	5.05
TPSA	95.16 Å²
H-Bond Donors	2
H-Bond Acceptors	5
Rotatable Bonds	10
Heavy Atoms	36
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.65
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-[[6,6-dimethyl-3-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-7-yl]amino]-N-propylpropanamide;cyclopropanecarbaldehyde;ethane?

The IUPAC name of N-butyl-3-[[6,6-dimethyl-3-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-7-yl]amino]-N-propylpropanamide;cyclopropanecarbaldehyde;ethane (CID 171493191) is N-butyl-3-[[6,6-dimethyl-3-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-7-yl]amino]-N-propylpropanamide;cyclopropanecarbaldehyde;ethane.

What is the SMILES notation for N-butyl-3-[[6,6-dimethyl-3-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-7-yl]amino]-N-propylpropanamide;cyclopropanecarbaldehyde;ethane?

The canonical SMILES for N-butyl-3-[[6,6-dimethyl-3-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-7-yl]amino]-N-propylpropanamide;cyclopropanecarbaldehyde;ethane is CC.CCCCN(CCC)C(=O)CCNC1c2n[nH]c(=O)c(C(F)(F)F)c2CC1(C)C.O=CC1CC1.

What is the InChIKey of N-butyl-3-[[6,6-dimethyl-3-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-7-yl]amino]-N-propylpropanamide;cyclopropanecarbaldehyde;ethane?

The InChIKey is IJLSSKPUUMMQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31F3N4O2.C4H6O.C2H6/c1-5-7-11-27(10-6-2)14(28)8-9-24-17-16-13(12-19(17,3)4)15(20(21,22)23)18(29)26-25-16;5-3-4-1-2-4;1-2/h17,24H,5-12H2,1-4H3,(H,26,29);3-4H,1-2H2;1-2H3.

What are the key properties of N-butyl-3-[[6,6-dimethyl-3-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-7-yl]amino]-N-propylpropanamide;cyclopropanecarbaldehyde;ethane?

N-butyl-3-[[6,6-dimethyl-3-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-7-yl]amino]-N-propylpropanamide;cyclopropanecarbaldehyde;ethane has a molecular weight of 516.65 g/mol, XLogP of 5.05, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-butyl-3-[[6,6-dimethyl-3-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-7-yl]amino]-N-propylpropanamide;cyclopropanecarbaldehyde;ethane is sourced from PubChem (CID 171493191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).