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

C24H19N5O3S — CID 136604797

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

N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-naphthalen-2-yloxyacetamide (PubChem CID 136604797) has the molecular formula C24H19N5O3S and a molecular weight of 457.52 g/mol. Its IUPAC name is N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-naphthalen-2-yloxyacetamide.

Molecular Properties

• Compound Name: N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-naphthalen-2-yloxyacetamide
• PubChem CID: 136604797
• Molecular Formula: C24H19N5O3S
• Molecular Weight: 457.52 g/mol
• Exact Mass: 457.12
• IUPAC Name: N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-naphthalen-2-yloxyacetamide
• SMILES: Cc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)COc2ccc3ccccc3c2)n1
• InChI: InChI=1S/C24H19N5O3S/c1-15-11-22(30)27-24(25-15)29-21(13-19(28-29)20-7-4-10-33-20)26-23(31)14-32-18-9-8-16-5-2-3-6-17(16)12-18/h2-13H,14H2,1H3,(H,26,31)(H,25,27,30)
• InChIKey: BZEVOWMSCAWDKS-UHFFFAOYSA-N
• XLogP: 4.16
• TPSA: 101.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.52
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-naphthalen-2-yloxyacetamide (CID 136604797) is N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-naphthalen-2-yloxyacetamide.

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

The canonical SMILES for N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-naphthalen-2-yloxyacetamide is Cc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)COc2ccc3ccccc3c2)n1.

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

The InChIKey is BZEVOWMSCAWDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O3S/c1-15-11-22(30)27-24(25-15)29-21(13-19(28-29)20-7-4-10-33-20)26-23(31)14-32-18-9-8-16-5-2-3-6-17(16)12-18/h2-13H,14H2,1H3,(H,26,31)(H,25,27,30).

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

N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-naphthalen-2-yloxyacetamide has a molecular weight of 457.52 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 136604797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).