N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]-5-propyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C24H23F6N5O3 — CID 24782954

About N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]-5-propyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]-5-propyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 24782954) has the molecular formula C24H23F6N5O3 and a molecular weight of 543.47 g/mol. Its IUPAC name is N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]-5-propyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]-5-propyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
• PubChem CID: 24782954
• Molecular Formula: C24H23F6N5O3
• Molecular Weight: 543.47 g/mol
• Exact Mass: 543.17
• IUPAC Name: N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]-5-propyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
• SMILES: CCCc1cc(C(=O)NCCNC(=O)c2cn(-c3ccccc3)nc2C(F)(F)F)cnc1OCC(F)(F)F
• InChI: InChI=1S/C24H23F6N5O3/c1-2-6-15-11-16(12-33-22(15)38-14-23(25,26)27)20(36)31-9-10-32-21(37)18-13-35(17-7-4-3-5-8-17)34-19(18)24(28,29)30/h3-5,7-8,11-13H,2,6,9-10,14H2,1H3,(H,31,36)(H,32,37)
• InChIKey: DVGBCLQTGFIPPG-UHFFFAOYSA-N
• XLogP: 4.34
• TPSA: 98.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	543.47
LogP ≤ 5	4.34
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 N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]-5-propyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?

The IUPAC name of N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]-5-propyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 24782954) is N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]-5-propyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

What is the SMILES notation for N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]-5-propyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?

The canonical SMILES for N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]-5-propyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is CCCc1cc(C(=O)NCCNC(=O)c2cn(-c3ccccc3)nc2C(F)(F)F)cnc1OCC(F)(F)F.

What is the InChIKey of N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]-5-propyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?

The InChIKey is DVGBCLQTGFIPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F6N5O3/c1-2-6-15-11-16(12-33-22(15)38-14-23(25,26)27)20(36)31-9-10-32-21(37)18-13-35(17-7-4-3-5-8-17)34-19(18)24(28,29)30/h3-5,7-8,11-13H,2,6,9-10,14H2,1H3,(H,31,36)(H,32,37).

What are the key properties of N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]-5-propyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?

N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]-5-propyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 543.47 g/mol, XLogP of 4.34, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]-5-propyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 24782954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).