3,4-dimethyl-N-[1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide

C23H23N5O2S — CID 136605024

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

3,4-dimethyl-N-[1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide (PubChem CID 136605024) has the molecular formula C23H23N5O2S and a molecular weight of 433.54 g/mol. Its IUPAC name is 3,4-dimethyl-N-[1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide.

Molecular Properties

• Compound Name: 3,4-dimethyl-N-[1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide
• PubChem CID: 136605024
• Molecular Formula: C23H23N5O2S
• Molecular Weight: 433.54 g/mol
• Exact Mass: 433.16
• IUPAC Name: 3,4-dimethyl-N-[1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide
• SMILES: CCCc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)c2ccc(C)c(C)c2)n1
• InChI: InChI=1S/C23H23N5O2S/c1-4-6-17-12-21(29)26-23(24-17)28-20(13-18(27-28)19-7-5-10-31-19)25-22(30)16-9-8-14(2)15(3)11-16/h5,7-13H,4,6H2,1-3H3,(H,25,30)(H,24,26,29)
• InChIKey: ZVNLWVKAWHDQME-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 92.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.54
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3,4-dimethyl-N-[1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide (CID 136605024) is 3,4-dimethyl-N-[1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide.

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

The canonical SMILES for 3,4-dimethyl-N-[1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide is CCCc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)c2ccc(C)c(C)c2)n1.

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

The InChIKey is ZVNLWVKAWHDQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2S/c1-4-6-17-12-21(29)26-23(24-17)28-20(13-18(27-28)19-7-5-10-31-19)25-22(30)16-9-8-14(2)15(3)11-16/h5,7-13H,4,6H2,1-3H3,(H,25,30)(H,24,26,29).

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

3,4-dimethyl-N-[1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide has a molecular weight of 433.54 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4-dimethyl-N-[1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide is sourced from PubChem (CID 136605024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).