N-[1-(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]furan-2-carboxamide

C24H19N5O3S — CID 135912517

About N-[1-(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]furan-2-carboxamide

N-[1-(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]furan-2-carboxamide (PubChem CID 135912517) has the molecular formula C24H19N5O3S and a molecular weight of 457.52 g/mol. Its IUPAC name is N-[1-(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]furan-2-carboxamide
• PubChem CID: 135912517
• Molecular Formula: C24H19N5O3S
• Molecular Weight: 457.52 g/mol
• Exact Mass: 457.12
• IUPAC Name: N-[1-(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]furan-2-carboxamide
• SMILES: Cc1nc(-n2nc(-c3cccs3)cc2NC(=O)c2ccco2)[nH]c(=O)c1Cc1ccccc1
• InChI: InChI=1S/C24H19N5O3S/c1-15-17(13-16-7-3-2-4-8-16)22(30)27-24(25-15)29-21(26-23(31)19-9-5-11-32-19)14-18(28-29)20-10-6-12-33-20/h2-12,14H,13H2,1H3,(H,26,31)(H,25,27,30)
• InChIKey: ZKQPKCGHBQXGIF-UHFFFAOYSA-N
• XLogP: 4.43
• TPSA: 105.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.52
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]furan-2-carboxamide?

The IUPAC name of N-[1-(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]furan-2-carboxamide (CID 135912517) is N-[1-(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]furan-2-carboxamide.

What is the SMILES notation for N-[1-(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]furan-2-carboxamide?

The canonical SMILES for N-[1-(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]furan-2-carboxamide is Cc1nc(-n2nc(-c3cccs3)cc2NC(=O)c2ccco2)[nH]c(=O)c1Cc1ccccc1.

What is the InChIKey of N-[1-(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]furan-2-carboxamide?

The InChIKey is ZKQPKCGHBQXGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O3S/c1-15-17(13-16-7-3-2-4-8-16)22(30)27-24(25-15)29-21(26-23(31)19-9-5-11-32-19)14-18(28-29)20-10-6-12-33-20/h2-12,14H,13H2,1H3,(H,26,31)(H,25,27,30).

What are the key properties of N-[1-(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]furan-2-carboxamide?

N-[1-(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]furan-2-carboxamide has a molecular weight of 457.52 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]furan-2-carboxamide is sourced from PubChem (CID 135912517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).