N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(3-methylphenoxy)acetamide

C26H21N5O4 — CID 135955467

About N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(3-methylphenoxy)acetamide

N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(3-methylphenoxy)acetamide (PubChem CID 135955467) has the molecular formula C26H21N5O4 and a molecular weight of 467.49 g/mol. Its IUPAC name is N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(3-methylphenoxy)acetamide.

Molecular Properties

• Compound Name: N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(3-methylphenoxy)acetamide
• PubChem CID: 135955467
• Molecular Formula: C26H21N5O4
• Molecular Weight: 467.49 g/mol
• Exact Mass: 467.16
• IUPAC Name: N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(3-methylphenoxy)acetamide
• SMILES: Cc1cccc(OCC(=O)Nc2cc(-c3ccco3)nn2-c2nc(-c3ccccc3)cc(=O)[nH]2)c1
• InChI: InChI=1S/C26H21N5O4/c1-17-7-5-10-19(13-17)35-16-25(33)28-23-14-21(22-11-6-12-34-22)30-31(23)26-27-20(15-24(32)29-26)18-8-3-2-4-9-18/h2-15H,16H2,1H3,(H,28,33)(H,27,29,32)
• InChIKey: DMKRLFGITDJBNY-UHFFFAOYSA-N
• XLogP: 4.21
• TPSA: 115.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.49
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(3-methylphenoxy)acetamide?

The IUPAC name of N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(3-methylphenoxy)acetamide (CID 135955467) is N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(3-methylphenoxy)acetamide.

What is the SMILES notation for N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(3-methylphenoxy)acetamide?

The canonical SMILES for N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(3-methylphenoxy)acetamide is Cc1cccc(OCC(=O)Nc2cc(-c3ccco3)nn2-c2nc(-c3ccccc3)cc(=O)[nH]2)c1.

What is the InChIKey of N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(3-methylphenoxy)acetamide?

The InChIKey is DMKRLFGITDJBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O4/c1-17-7-5-10-19(13-17)35-16-25(33)28-23-14-21(22-11-6-12-34-22)30-31(23)26-27-20(15-24(32)29-26)18-8-3-2-4-9-18/h2-15H,16H2,1H3,(H,28,33)(H,27,29,32).

What are the key properties of N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(3-methylphenoxy)acetamide?

N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(3-methylphenoxy)acetamide has a molecular weight of 467.49 g/mol, XLogP of 4.21, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 135955467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).