3-cyclohexyl-N-[1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]propanamide

C23H29N5O2S — CID 136605009

About 3-cyclohexyl-N-[1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]propanamide

3-cyclohexyl-N-[1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]propanamide (PubChem CID 136605009) has the molecular formula C23H29N5O2S and a molecular weight of 439.59 g/mol. Its IUPAC name is 3-cyclohexyl-N-[1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]propanamide.

Molecular Properties

• Compound Name: 3-cyclohexyl-N-[1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]propanamide
• PubChem CID: 136605009
• Molecular Formula: C23H29N5O2S
• Molecular Weight: 439.59 g/mol
• Exact Mass: 439.20
• IUPAC Name: 3-cyclohexyl-N-[1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]propanamide
• SMILES: CCCc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)CCC2CCCCC2)n1
• InChI: InChI=1S/C23H29N5O2S/c1-2-7-17-14-22(30)26-23(24-17)28-20(15-18(27-28)19-10-6-13-31-19)25-21(29)12-11-16-8-4-3-5-9-16/h6,10,13-16H,2-5,7-9,11-12H2,1H3,(H,25,29)(H,24,26,30)
• InChIKey: KINVWXRPQSXENJ-UHFFFAOYSA-N
• XLogP: 4.94
• TPSA: 92.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.59
LogP ≤ 5	4.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-cyclohexyl-N-[1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]propanamide (CID 136605009) is 3-cyclohexyl-N-[1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]propanamide.

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

The canonical SMILES for 3-cyclohexyl-N-[1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]propanamide is CCCc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)CCC2CCCCC2)n1.

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

The InChIKey is KINVWXRPQSXENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2S/c1-2-7-17-14-22(30)26-23(24-17)28-20(15-18(27-28)19-10-6-13-31-19)25-21(29)12-11-16-8-4-3-5-9-16/h6,10,13-16H,2-5,7-9,11-12H2,1H3,(H,25,29)(H,24,26,30).

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

3-cyclohexyl-N-[1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]propanamide has a molecular weight of 439.59 g/mol, XLogP of 4.94, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclohexyl-N-[1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]propanamide is sourced from PubChem (CID 136605009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).