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

C21H25N5O3 — CID 136615054

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

2-cyclopentyl-N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]acetamide (PubChem CID 136615054) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is 2-cyclopentyl-N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]acetamide.

Molecular Properties

• Compound Name: 2-cyclopentyl-N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]acetamide
• PubChem CID: 136615054
• Molecular Formula: C21H25N5O3
• Molecular Weight: 395.46 g/mol
• Exact Mass: 395.20
• IUPAC Name: 2-cyclopentyl-N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]acetamide
• SMILES: CCc1c(C)nc(-n2nc(-c3ccco3)cc2NC(=O)CC2CCCC2)[nH]c1=O
• InChI: InChI=1S/C21H25N5O3/c1-3-15-13(2)22-21(24-20(15)28)26-18(12-16(25-26)17-9-6-10-29-17)23-19(27)11-14-7-4-5-8-14/h6,9-10,12,14H,3-5,7-8,11H2,1-2H3,(H,23,27)(H,22,24,28)
• InChIKey: XNKKHTGAVSWUQU-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 105.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.46
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-cyclopentyl-N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]acetamide (CID 136615054) is 2-cyclopentyl-N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]acetamide.

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

The canonical SMILES for 2-cyclopentyl-N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]acetamide is CCc1c(C)nc(-n2nc(-c3ccco3)cc2NC(=O)CC2CCCC2)[nH]c1=O.

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

The InChIKey is XNKKHTGAVSWUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-3-15-13(2)22-21(24-20(15)28)26-18(12-16(25-26)17-9-6-10-29-17)23-19(27)11-14-7-4-5-8-14/h6,9-10,12,14H,3-5,7-8,11H2,1-2H3,(H,23,27)(H,22,24,28).

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

2-cyclopentyl-N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]acetamide has a molecular weight of 395.46 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopentyl-N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]acetamide is sourced from PubChem (CID 136615054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).