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

C20H19N5O2S2 — CID 136605362

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

N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-thiophen-2-ylacetamide (PubChem CID 136605362) has the molecular formula C20H19N5O2S2 and a molecular weight of 425.54 g/mol. Its IUPAC name is N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

• Compound Name: N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-thiophen-2-ylacetamide
• PubChem CID: 136605362
• Molecular Formula: C20H19N5O2S2
• Molecular Weight: 425.54 g/mol
• Exact Mass: 425.10
• IUPAC Name: N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-thiophen-2-ylacetamide
• SMILES: CCc1c(C)nc(-n2nc(-c3cccs3)cc2NC(=O)Cc2cccs2)[nH]c1=O
• InChI: InChI=1S/C20H19N5O2S2/c1-3-14-12(2)21-20(23-19(14)27)25-17(11-15(24-25)16-7-5-9-29-16)22-18(26)10-13-6-4-8-28-13/h4-9,11H,3,10H2,1-2H3,(H,22,26)(H,21,23,27)
• InChIKey: QBGOTNVGCIHTRR-UHFFFAOYSA-N
• XLogP: 3.80
• TPSA: 92.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.54
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-thiophen-2-ylacetamide (CID 136605362) is N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-thiophen-2-ylacetamide.

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

The canonical SMILES for N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-thiophen-2-ylacetamide is CCc1c(C)nc(-n2nc(-c3cccs3)cc2NC(=O)Cc2cccs2)[nH]c1=O.

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

The InChIKey is QBGOTNVGCIHTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2S2/c1-3-14-12(2)21-20(23-19(14)27)25-17(11-15(24-25)16-7-5-9-29-16)22-18(26)10-13-6-4-8-28-13/h4-9,11H,3,10H2,1-2H3,(H,22,26)(H,21,23,27).

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

N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-thiophen-2-ylacetamide has a molecular weight of 425.54 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 136605362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).