3-(3,5-difluorophenoxy)-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide

C24H26F2N4O4 — CID 171654347

About 3-(3,5-difluorophenoxy)-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide

3-(3,5-difluorophenoxy)-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide (PubChem CID 171654347) has the molecular formula C24H26F2N4O4 and a molecular weight of 472.49 g/mol. Its IUPAC name is 3-(3,5-difluorophenoxy)-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide.

Molecular Properties

• Compound Name: 3-(3,5-difluorophenoxy)-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide
• PubChem CID: 171654347
• Molecular Formula: C24H26F2N4O4
• Molecular Weight: 472.49 g/mol
• Exact Mass: 472.19
• IUPAC Name: 3-(3,5-difluorophenoxy)-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide
• SMILES: Cc1ccc(OCCN(C)C(=O)Cn2cc(NC(=O)CCOc3cc(F)cc(F)c3)cn2)cc1
• InChI: InChI=1S/C24H26F2N4O4/c1-17-3-5-21(6-4-17)34-10-8-29(2)24(32)16-30-15-20(14-27-30)28-23(31)7-9-33-22-12-18(25)11-19(26)13-22/h3-6,11-15H,7-10,16H2,1-2H3,(H,28,31)
• InChIKey: ASLSFAORJTZHKH-UHFFFAOYSA-N
• XLogP: 3.41
• TPSA: 85.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.49
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluorophenoxy)-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide?

The IUPAC name of 3-(3,5-difluorophenoxy)-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide (CID 171654347) is 3-(3,5-difluorophenoxy)-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide.

What is the SMILES notation for 3-(3,5-difluorophenoxy)-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide?

The canonical SMILES for 3-(3,5-difluorophenoxy)-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide is Cc1ccc(OCCN(C)C(=O)Cn2cc(NC(=O)CCOc3cc(F)cc(F)c3)cn2)cc1.

What is the InChIKey of 3-(3,5-difluorophenoxy)-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide?

The InChIKey is ASLSFAORJTZHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N4O4/c1-17-3-5-21(6-4-17)34-10-8-29(2)24(32)16-30-15-20(14-27-30)28-23(31)7-9-33-22-12-18(25)11-19(26)13-22/h3-6,11-15H,7-10,16H2,1-2H3,(H,28,31).

What are the key properties of 3-(3,5-difluorophenoxy)-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide?

3-(3,5-difluorophenoxy)-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide has a molecular weight of 472.49 g/mol, XLogP of 3.41, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3,5-difluorophenoxy)-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide is sourced from PubChem (CID 171654347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).