N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide

C25H28F3N3O4 — CID 19534800

About N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide

N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (PubChem CID 19534800) has the molecular formula C25H28F3N3O4 and a molecular weight of 491.51 g/mol. Its IUPAC name is N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.

Molecular Properties

• Compound Name: N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
• PubChem CID: 19534800
• Molecular Formula: C25H28F3N3O4
• Molecular Weight: 491.51 g/mol
• Exact Mass: 491.20
• IUPAC Name: N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
• SMILES: CCOc1ccc(COc2ccc(NC(=O)C(C)n3nc(C(F)(F)F)cc3C)cc2)cc1OCC
• InChI: InChI=1S/C25H28F3N3O4/c1-5-33-21-12-7-18(14-22(21)34-6-2)15-35-20-10-8-19(9-11-20)29-24(32)17(4)31-16(3)13-23(30-31)25(26,27)28/h7-14,17H,5-6,15H2,1-4H3,(H,29,32)
• InChIKey: VLSKWDXGISNCDJ-UHFFFAOYSA-N
• XLogP: 5.79
• TPSA: 74.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	491.51
LogP ≤ 5	5.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?

The IUPAC name of N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (CID 19534800) is N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.

What is the SMILES notation for N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?

The canonical SMILES for N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is CCOc1ccc(COc2ccc(NC(=O)C(C)n3nc(C(F)(F)F)cc3C)cc2)cc1OCC.

What is the InChIKey of N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?

The InChIKey is VLSKWDXGISNCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F3N3O4/c1-5-33-21-12-7-18(14-22(21)34-6-2)15-35-20-10-8-19(9-11-20)29-24(32)17(4)31-16(3)13-23(30-31)25(26,27)28/h7-14,17H,5-6,15H2,1-4H3,(H,29,32).

What are the key properties of N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?

N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide has a molecular weight of 491.51 g/mol, XLogP of 5.79, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 19534800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).