2-ethyl-N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]butanamide

C20H25N5O3 — CID 136614804

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

2-ethyl-N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]butanamide (PubChem CID 136614804) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-ethyl-N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]butanamide.

Molecular Properties

• Compound Name: 2-ethyl-N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]butanamide
• PubChem CID: 136614804
• Molecular Formula: C20H25N5O3
• Molecular Weight: 383.45 g/mol
• Exact Mass: 383.20
• IUPAC Name: 2-ethyl-N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]butanamide
• SMILES: CCC(CC)C(=O)Nc1cc(-c2ccco2)nn1-c1nc(C(C)C)cc(=O)[nH]1
• InChI: InChI=1S/C20H25N5O3/c1-5-13(6-2)19(27)22-17-10-15(16-8-7-9-28-16)24-25(17)20-21-14(12(3)4)11-18(26)23-20/h7-13H,5-6H2,1-4H3,(H,22,27)(H,21,23,26)
• InChIKey: YOXNUDJKTUYFFR-UHFFFAOYSA-N
• XLogP: 3.71
• TPSA: 105.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.45
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-ethyl-N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]butanamide (CID 136614804) is 2-ethyl-N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]butanamide.

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

The canonical SMILES for 2-ethyl-N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]butanamide is CCC(CC)C(=O)Nc1cc(-c2ccco2)nn1-c1nc(C(C)C)cc(=O)[nH]1.

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

The InChIKey is YOXNUDJKTUYFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-5-13(6-2)19(27)22-17-10-15(16-8-7-9-28-16)24-25(17)20-21-14(12(3)4)11-18(26)23-20/h7-13H,5-6H2,1-4H3,(H,22,27)(H,21,23,26).

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

2-ethyl-N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]butanamide has a molecular weight of 383.45 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]butanamide is sourced from PubChem (CID 136614804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).