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

C21H19N5O4 — CID 136606198

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

N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(3-methylphenoxy)acetamide (PubChem CID 136606198) has the molecular formula C21H19N5O4 and a molecular weight of 405.41 g/mol. Its IUPAC name is N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(3-methylphenoxy)acetamide.

Molecular Properties

• Compound Name: N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(3-methylphenoxy)acetamide
• PubChem CID: 136606198
• Molecular Formula: C21H19N5O4
• Molecular Weight: 405.41 g/mol
• Exact Mass: 405.14
• IUPAC Name: N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(3-methylphenoxy)acetamide
• SMILES: Cc1cccc(OCC(=O)Nc2cc(-c3ccco3)nn2-c2nc(C)cc(=O)[nH]2)c1
• InChI: InChI=1S/C21H19N5O4/c1-13-5-3-6-15(9-13)30-12-20(28)23-18-11-16(17-7-4-8-29-17)25-26(18)21-22-14(2)10-19(27)24-21/h3-11H,12H2,1-2H3,(H,23,28)(H,22,24,27)
• InChIKey: XPDWGZHAFDAJMM-UHFFFAOYSA-N
• XLogP: 2.85
• TPSA: 115.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.41
LogP ≤ 5	2.85
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-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(3-methylphenoxy)acetamide?

The IUPAC name of N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(3-methylphenoxy)acetamide (CID 136606198) is N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(3-methylphenoxy)acetamide.

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

The canonical SMILES for N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(3-methylphenoxy)acetamide is Cc1cccc(OCC(=O)Nc2cc(-c3ccco3)nn2-c2nc(C)cc(=O)[nH]2)c1.

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

The InChIKey is XPDWGZHAFDAJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O4/c1-13-5-3-6-15(9-13)30-12-20(28)23-18-11-16(17-7-4-8-29-17)25-26(18)21-22-14(2)10-19(27)24-21/h3-11H,12H2,1-2H3,(H,23,28)(H,22,24,27).

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

N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(3-methylphenoxy)acetamide has a molecular weight of 405.41 g/mol, XLogP of 2.85, 6 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-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 136606198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).