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

C26H32N4O2 — CID 53049844

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

N-[2-(1-adamantyl)ethyl]-4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide (PubChem CID 53049844) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is N-[2-(1-adamantyl)ethyl]-4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide.

Molecular Properties

• Compound Name: N-[2-(1-adamantyl)ethyl]-4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide
• PubChem CID: 53049844
• Molecular Formula: C26H32N4O2
• Molecular Weight: 432.57 g/mol
• Exact Mass: 432.25
• IUPAC Name: N-[2-(1-adamantyl)ethyl]-4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide
• SMILES: O=C(NCCC12CC3CC(CC(C3)C1)C2)c1ccc(CN2C(=O)CCn3nccc32)cc1
• InChI: InChI=1S/C26H32N4O2/c31-24-6-10-30-23(5-8-28-30)29(24)17-18-1-3-22(4-2-18)25(32)27-9-7-26-14-19-11-20(15-26)13-21(12-19)16-26/h1-5,8,19-21H,6-7,9-17H2,(H,27,32)
• InChIKey: PXVOFFCQOCTBLW-UHFFFAOYSA-N
• XLogP: 4.16
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.57
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[2-(1-adamantyl)ethyl]-4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide (CID 53049844) is N-[2-(1-adamantyl)ethyl]-4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide.

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

The canonical SMILES for N-[2-(1-adamantyl)ethyl]-4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide is O=C(NCCC12CC3CC(CC(C3)C1)C2)c1ccc(CN2C(=O)CCn3nccc32)cc1.

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

The InChIKey is PXVOFFCQOCTBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2/c31-24-6-10-30-23(5-8-28-30)29(24)17-18-1-3-22(4-2-18)25(32)27-9-7-26-14-19-11-20(15-26)13-21(12-19)16-26/h1-5,8,19-21H,6-7,9-17H2,(H,27,32).

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

N-[2-(1-adamantyl)ethyl]-4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide has a molecular weight of 432.57 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(1-adamantyl)ethyl]-4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide is sourced from PubChem (CID 53049844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).