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

C23H23N5O5 — CID 135955371

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

N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2,4-dimethoxybenzamide (PubChem CID 135955371) has the molecular formula C23H23N5O5 and a molecular weight of 449.47 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]-2,4-dimethoxybenzamide.

Molecular Properties

• Compound Name: N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2,4-dimethoxybenzamide
• PubChem CID: 135955371
• Molecular Formula: C23H23N5O5
• Molecular Weight: 449.47 g/mol
• Exact Mass: 449.17
• IUPAC Name: N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2,4-dimethoxybenzamide
• SMILES: COc1ccc(C(=O)Nc2cc(-c3ccco3)nn2-c2nc(C(C)C)cc(=O)[nH]2)c(OC)c1
• InChI: InChI=1S/C23H23N5O5/c1-13(2)16-12-21(29)26-23(24-16)28-20(11-17(27-28)18-6-5-9-33-18)25-22(30)15-8-7-14(31-3)10-19(15)32-4/h5-13H,1-4H3,(H,25,30)(H,24,26,29)
• InChIKey: BNEFRAWAGHAAEW-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 124.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.47
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

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]-2,4-dimethoxybenzamide?

The IUPAC name of N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2,4-dimethoxybenzamide (CID 135955371) is N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2,4-dimethoxybenzamide.

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]-2,4-dimethoxybenzamide?

The canonical SMILES for N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2cc(-c3ccco3)nn2-c2nc(C(C)C)cc(=O)[nH]2)c(OC)c1.

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

The InChIKey is BNEFRAWAGHAAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O5/c1-13(2)16-12-21(29)26-23(24-16)28-20(11-17(27-28)18-6-5-9-33-18)25-22(30)15-8-7-14(31-3)10-19(15)32-4/h5-13H,1-4H3,(H,25,30)(H,24,26,29).

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]-2,4-dimethoxybenzamide?

N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2,4-dimethoxybenzamide has a molecular weight of 449.47 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 8 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]-2,4-dimethoxybenzamide is sourced from PubChem (CID 135955371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).