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

C26H21N5O3 — CID 135879852

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

N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(4-phenylphenyl)acetamide (PubChem CID 135879852) has the molecular formula C26H21N5O3 and a molecular weight of 451.49 g/mol. Its IUPAC name is N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(4-phenylphenyl)acetamide.

Molecular Properties

• Compound Name: N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(4-phenylphenyl)acetamide
• PubChem CID: 135879852
• Molecular Formula: C26H21N5O3
• Molecular Weight: 451.49 g/mol
• Exact Mass: 451.16
• IUPAC Name: N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(4-phenylphenyl)acetamide
• SMILES: Cc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)Cc2ccc(-c3ccccc3)cc2)n1
• InChI: InChI=1S/C26H21N5O3/c1-17-14-24(32)29-26(27-17)31-23(16-21(30-31)22-8-5-13-34-22)28-25(33)15-18-9-11-20(12-10-18)19-6-3-2-4-7-19/h2-14,16H,15H2,1H3,(H,28,33)(H,27,29,32)
• InChIKey: MBXMYJGPIFNELE-UHFFFAOYSA-N
• XLogP: 4.37
• TPSA: 105.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.49
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(4-phenylphenyl)acetamide (CID 135879852) is N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(4-phenylphenyl)acetamide.

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

The canonical SMILES for N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(4-phenylphenyl)acetamide is Cc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)Cc2ccc(-c3ccccc3)cc2)n1.

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

The InChIKey is MBXMYJGPIFNELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O3/c1-17-14-24(32)29-26(27-17)31-23(16-21(30-31)22-8-5-13-34-22)28-25(33)15-18-9-11-20(12-10-18)19-6-3-2-4-7-19/h2-14,16H,15H2,1H3,(H,28,33)(H,27,29,32).

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

N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(4-phenylphenyl)acetamide has a molecular weight of 451.49 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(4-phenylphenyl)acetamide is sourced from PubChem (CID 135879852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).