2-(4-fluorophenoxy)-N-[1-(4-methyl-6-oxo-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide

C20H20FN5O3S — CID 74782924

About 2-(4-fluorophenoxy)-N-[1-(4-methyl-6-oxo-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide

2-(4-fluorophenoxy)-N-[1-(4-methyl-6-oxo-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide (PubChem CID 74782924) has the molecular formula C20H20FN5O3S and a molecular weight of 429.48 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[1-(4-methyl-6-oxo-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide.

Molecular Properties

• Compound Name: 2-(4-fluorophenoxy)-N-[1-(4-methyl-6-oxo-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide
• PubChem CID: 74782924
• Molecular Formula: C20H20FN5O3S
• Molecular Weight: 429.48 g/mol
• Exact Mass: 429.13
• IUPAC Name: 2-(4-fluorophenoxy)-N-[1-(4-methyl-6-oxo-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide
• SMILES: CC1CC(=O)NC(n2nc(-c3cccs3)cc2NC(=O)COc2ccc(F)cc2)N1
• InChI: InChI=1S/C20H20FN5O3S/c1-12-9-18(27)24-20(22-12)26-17(10-15(25-26)16-3-2-8-30-16)23-19(28)11-29-14-6-4-13(21)5-7-14/h2-8,10,12,20,22H,9,11H2,1H3,(H,23,28)(H,24,27)
• InChIKey: YLAHIZDTKVVECK-UHFFFAOYSA-N
• XLogP: 2.72
• TPSA: 97.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.48
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-(4-fluorophenoxy)-N-[1-(4-methyl-6-oxo-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide (CID 74782924) is 2-(4-fluorophenoxy)-N-[1-(4-methyl-6-oxo-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide.

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

The canonical SMILES for 2-(4-fluorophenoxy)-N-[1-(4-methyl-6-oxo-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide is CC1CC(=O)NC(n2nc(-c3cccs3)cc2NC(=O)COc2ccc(F)cc2)N1.

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

The InChIKey is YLAHIZDTKVVECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O3S/c1-12-9-18(27)24-20(22-12)26-17(10-15(25-26)16-3-2-8-30-16)23-19(28)11-29-14-6-4-13(21)5-7-14/h2-8,10,12,20,22H,9,11H2,1H3,(H,23,28)(H,24,27).

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

2-(4-fluorophenoxy)-N-[1-(4-methyl-6-oxo-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide has a molecular weight of 429.48 g/mol, XLogP of 2.72, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-fluorophenoxy)-N-[1-(4-methyl-6-oxo-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide is sourced from PubChem (CID 74782924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).