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

C24H25N5O4 — CID 136614908

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

N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-3-(4-methoxyphenyl)propanamide (PubChem CID 136614908) has the molecular formula C24H25N5O4 and a molecular weight of 447.50 g/mol. Its IUPAC name is N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

• Compound Name: N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-3-(4-methoxyphenyl)propanamide
• PubChem CID: 136614908
• Molecular Formula: C24H25N5O4
• Molecular Weight: 447.50 g/mol
• Exact Mass: 447.19
• IUPAC Name: N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-3-(4-methoxyphenyl)propanamide
• SMILES: COc1ccc(CCC(=O)Nc2cc(-c3ccco3)nn2-c2nc(C(C)C)cc(=O)[nH]2)cc1
• InChI: InChI=1S/C24H25N5O4/c1-15(2)18-14-23(31)27-24(25-18)29-21(13-19(28-29)20-5-4-12-33-20)26-22(30)11-8-16-6-9-17(32-3)10-7-16/h4-7,9-10,12-15H,8,11H2,1-3H3,(H,26,30)(H,25,27,31)
• InChIKey: YPMUZOKIGWOQNV-UHFFFAOYSA-N
• XLogP: 3.92
• TPSA: 115.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.50
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-3-(4-methoxyphenyl)propanamide (CID 136614908) is N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-3-(4-methoxyphenyl)propanamide.

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

The canonical SMILES for N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)Nc2cc(-c3ccco3)nn2-c2nc(C(C)C)cc(=O)[nH]2)cc1.

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

The InChIKey is YPMUZOKIGWOQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O4/c1-15(2)18-14-23(31)27-24(25-18)29-21(13-19(28-29)20-5-4-12-33-20)26-22(30)11-8-16-6-9-17(32-3)10-7-16/h4-7,9-10,12-15H,8,11H2,1-3H3,(H,26,30)(H,25,27,31).

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

N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 447.50 g/mol, XLogP of 3.92, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 136614908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).