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

C27H23ClN4O2 — CID 20920134

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

N-[(2-chlorophenyl)methyl]-4-[(5-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide (PubChem CID 20920134) has the molecular formula C27H23ClN4O2 and a molecular weight of 470.96 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-[(5-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide.

Molecular Properties

• Compound Name: N-[(2-chlorophenyl)methyl]-4-[(5-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide
• PubChem CID: 20920134
• Molecular Formula: C27H23ClN4O2
• Molecular Weight: 470.96 g/mol
• Exact Mass: 470.15
• IUPAC Name: N-[(2-chlorophenyl)methyl]-4-[(5-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide
• SMILES: O=C(NCc1ccccc1Cl)c1ccc(CN2C(=O)CCn3nc(-c4ccccc4)cc32)cc1
• InChI: InChI=1S/C27H23ClN4O2/c28-23-9-5-4-8-22(23)17-29-27(34)21-12-10-19(11-13-21)18-31-25-16-24(20-6-2-1-3-7-20)30-32(25)15-14-26(31)33/h1-13,16H,14-15,17-18H2,(H,29,34)
• InChIKey: XJYMKIOUNXIKAB-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.96
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[(2-chlorophenyl)methyl]-4-[(5-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide (CID 20920134) is N-[(2-chlorophenyl)methyl]-4-[(5-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide.

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

The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-[(5-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide is O=C(NCc1ccccc1Cl)c1ccc(CN2C(=O)CCn3nc(-c4ccccc4)cc32)cc1.

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

The InChIKey is XJYMKIOUNXIKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClN4O2/c28-23-9-5-4-8-22(23)17-29-27(34)21-12-10-19(11-13-21)18-31-25-16-24(20-6-2-1-3-7-20)30-32(25)15-14-26(31)33/h1-13,16H,14-15,17-18H2,(H,29,34).

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

N-[(2-chlorophenyl)methyl]-4-[(5-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide has a molecular weight of 470.96 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-chlorophenyl)methyl]-4-[(5-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide is sourced from PubChem (CID 20920134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).