2-(4-ethoxyphenoxy)-N-[1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide

C24H23N5O4S — CID 136605906

About 2-(4-ethoxyphenoxy)-N-[1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide

2-(4-ethoxyphenoxy)-N-[1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide (PubChem CID 136605906) has the molecular formula C24H23N5O4S and a molecular weight of 477.55 g/mol. Its IUPAC name is 2-(4-ethoxyphenoxy)-N-[1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide.

Molecular Properties

• Compound Name: 2-(4-ethoxyphenoxy)-N-[1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide
• PubChem CID: 136605906
• Molecular Formula: C24H23N5O4S
• Molecular Weight: 477.55 g/mol
• Exact Mass: 477.15
• IUPAC Name: 2-(4-ethoxyphenoxy)-N-[1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide
• SMILES: CCOc1ccc(OCC(=O)Nc2cc(-c3cccs3)nn2-c2nc3c(c(=O)[nH]2)CCC3)cc1
• InChI: InChI=1S/C24H23N5O4S/c1-2-32-15-8-10-16(11-9-15)33-14-22(30)26-21-13-19(20-7-4-12-34-20)28-29(21)24-25-18-6-3-5-17(18)23(31)27-24/h4,7-13H,2-3,5-6,14H2,1H3,(H,26,30)(H,25,27,31)
• InChIKey: XTOGPOBOBZYARD-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 111.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.55
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenoxy)-N-[1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide?

The IUPAC name of 2-(4-ethoxyphenoxy)-N-[1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide (CID 136605906) is 2-(4-ethoxyphenoxy)-N-[1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide.

What is the SMILES notation for 2-(4-ethoxyphenoxy)-N-[1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide?

The canonical SMILES for 2-(4-ethoxyphenoxy)-N-[1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide is CCOc1ccc(OCC(=O)Nc2cc(-c3cccs3)nn2-c2nc3c(c(=O)[nH]2)CCC3)cc1.

What is the InChIKey of 2-(4-ethoxyphenoxy)-N-[1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide?

The InChIKey is XTOGPOBOBZYARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O4S/c1-2-32-15-8-10-16(11-9-15)33-14-22(30)26-21-13-19(20-7-4-12-34-20)28-29(21)24-25-18-6-3-5-17(18)23(31)27-24/h4,7-13H,2-3,5-6,14H2,1H3,(H,26,30)(H,25,27,31).

What are the key properties of 2-(4-ethoxyphenoxy)-N-[1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide?

2-(4-ethoxyphenoxy)-N-[1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide has a molecular weight of 477.55 g/mol, XLogP of 3.59, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-ethoxyphenoxy)-N-[1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide is sourced from PubChem (CID 136605906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).