2-(3-methoxyphenoxy)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide

C21H19N5O4S — CID 136604798

About 2-(3-methoxyphenoxy)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide

2-(3-methoxyphenoxy)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide (PubChem CID 136604798) has the molecular formula C21H19N5O4S and a molecular weight of 437.48 g/mol. Its IUPAC name is 2-(3-methoxyphenoxy)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide.

Molecular Properties

• Compound Name: 2-(3-methoxyphenoxy)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide
• PubChem CID: 136604798
• Molecular Formula: C21H19N5O4S
• Molecular Weight: 437.48 g/mol
• Exact Mass: 437.12
• IUPAC Name: 2-(3-methoxyphenoxy)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide
• SMILES: COc1cccc(OCC(=O)Nc2cc(-c3cccs3)nn2-c2nc(C)cc(=O)[nH]2)c1
• InChI: InChI=1S/C21H19N5O4S/c1-13-9-19(27)24-21(22-13)26-18(11-16(25-26)17-7-4-8-31-17)23-20(28)12-30-15-6-3-5-14(10-15)29-2/h3-11H,12H2,1-2H3,(H,23,28)(H,22,24,27)
• InChIKey: QKXOXPRFERLQSW-UHFFFAOYSA-N
• XLogP: 3.02
• TPSA: 111.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.48
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenoxy)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide?

The IUPAC name of 2-(3-methoxyphenoxy)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide (CID 136604798) is 2-(3-methoxyphenoxy)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide.

What is the SMILES notation for 2-(3-methoxyphenoxy)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide?

The canonical SMILES for 2-(3-methoxyphenoxy)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide is COc1cccc(OCC(=O)Nc2cc(-c3cccs3)nn2-c2nc(C)cc(=O)[nH]2)c1.

What is the InChIKey of 2-(3-methoxyphenoxy)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide?

The InChIKey is QKXOXPRFERLQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O4S/c1-13-9-19(27)24-21(22-13)26-18(11-16(25-26)17-7-4-8-31-17)23-20(28)12-30-15-6-3-5-14(10-15)29-2/h3-11H,12H2,1-2H3,(H,23,28)(H,22,24,27).

What are the key properties of 2-(3-methoxyphenoxy)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide?

2-(3-methoxyphenoxy)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide has a molecular weight of 437.48 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-methoxyphenoxy)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide is sourced from PubChem (CID 136604798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).