N-[(3-methylphenyl)methyl]-4-[(5-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide

C28H26N4O2 — CID 20920142

About N-[(3-methylphenyl)methyl]-4-[(5-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide

N-[(3-methylphenyl)methyl]-4-[(5-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide (PubChem CID 20920142) has the molecular formula C28H26N4O2 and a molecular weight of 450.54 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-4-[(5-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide.

Molecular Properties

• Compound Name: N-[(3-methylphenyl)methyl]-4-[(5-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide
• PubChem CID: 20920142
• Molecular Formula: C28H26N4O2
• Molecular Weight: 450.54 g/mol
• Exact Mass: 450.21
• IUPAC Name: N-[(3-methylphenyl)methyl]-4-[(5-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide
• SMILES: Cc1cccc(CNC(=O)c2ccc(CN3C(=O)CCn4nc(-c5ccccc5)cc43)cc2)c1
• InChI: InChI=1S/C28H26N4O2/c1-20-6-5-7-22(16-20)18-29-28(34)24-12-10-21(11-13-24)19-31-26-17-25(23-8-3-2-4-9-23)30-32(26)15-14-27(31)33/h2-13,16-17H,14-15,18-19H2,1H3,(H,29,34)
• InChIKey: JOKGELLSDFQTEH-UHFFFAOYSA-N
• XLogP: 4.73
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.54
LogP ≤ 5	4.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-4-[(5-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide?

The IUPAC name of N-[(3-methylphenyl)methyl]-4-[(5-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide (CID 20920142) is N-[(3-methylphenyl)methyl]-4-[(5-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide.

What is the SMILES notation for N-[(3-methylphenyl)methyl]-4-[(5-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide?

The canonical SMILES for N-[(3-methylphenyl)methyl]-4-[(5-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide is Cc1cccc(CNC(=O)c2ccc(CN3C(=O)CCn4nc(-c5ccccc5)cc43)cc2)c1.

What is the InChIKey of N-[(3-methylphenyl)methyl]-4-[(5-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide?

The InChIKey is JOKGELLSDFQTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O2/c1-20-6-5-7-22(16-20)18-29-28(34)24-12-10-21(11-13-24)19-31-26-17-25(23-8-3-2-4-9-23)30-32(26)15-14-27(31)33/h2-13,16-17H,14-15,18-19H2,1H3,(H,29,34).

What are the key properties of N-[(3-methylphenyl)methyl]-4-[(5-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide?

N-[(3-methylphenyl)methyl]-4-[(5-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide has a molecular weight of 450.54 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-methylphenyl)methyl]-4-[(5-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide is sourced from PubChem (CID 20920142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).