2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)acetamide

C27H27N5O3 — CID 112805680

About 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)acetamide

2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)acetamide (PubChem CID 112805680) has the molecular formula C27H27N5O3 and a molecular weight of 469.55 g/mol. Its IUPAC name is 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)acetamide.

Molecular Properties

• Compound Name: 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)acetamide
• PubChem CID: 112805680
• Molecular Formula: C27H27N5O3
• Molecular Weight: 469.55 g/mol
• Exact Mass: 469.21
• IUPAC Name: 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)acetamide
• SMILES: O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)Nc1cc(C2CCCC2)nn1-c1ccccc1
• InChI: InChI=1S/C27H27N5O3/c33-25(19-31-26(34)15-16-30(27(31)35)18-20-9-3-1-4-10-20)28-24-17-23(21-11-7-8-12-21)29-32(24)22-13-5-2-6-14-22/h1-6,9-10,13-17,21H,7-8,11-12,18-19H2,(H,28,33)
• InChIKey: NQFDNYCHPVLRIC-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 90.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.55
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)acetamide?

The IUPAC name of 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)acetamide (CID 112805680) is 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)acetamide.

What is the SMILES notation for 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)acetamide?

The canonical SMILES for 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)acetamide is O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)Nc1cc(C2CCCC2)nn1-c1ccccc1.

What is the InChIKey of 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)acetamide?

The InChIKey is NQFDNYCHPVLRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O3/c33-25(19-31-26(34)15-16-30(27(31)35)18-20-9-3-1-4-10-20)28-24-17-23(21-11-7-8-12-21)29-32(24)22-13-5-2-6-14-22/h1-6,9-10,13-17,21H,7-8,11-12,18-19H2,(H,28,33).

What are the key properties of 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)acetamide?

2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)acetamide has a molecular weight of 469.55 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)acetamide is sourced from PubChem (CID 112805680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).