N-[1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-propylpentanamide

C22H29N5O2S — CID 136605692

About N-[1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-propylpentanamide

N-[1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-propylpentanamide (PubChem CID 136605692) has the molecular formula C22H29N5O2S and a molecular weight of 427.57 g/mol. Its IUPAC name is N-[1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-propylpentanamide.

Molecular Properties

• Compound Name: N-[1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-propylpentanamide
• PubChem CID: 136605692
• Molecular Formula: C22H29N5O2S
• Molecular Weight: 427.57 g/mol
• Exact Mass: 427.20
• IUPAC Name: N-[1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-propylpentanamide
• SMILES: CCCC(CCC)C(=O)Nc1cc(-c2cccs2)nn1-c1nc(C(C)C)cc(=O)[nH]1
• InChI: InChI=1S/C22H29N5O2S/c1-5-8-15(9-6-2)21(29)24-19-12-17(18-10-7-11-30-18)26-27(19)22-23-16(14(3)4)13-20(28)25-22/h7,10-15H,5-6,8-9H2,1-4H3,(H,24,29)(H,23,25,28)
• InChIKey: RIBBIZXGFAFDRU-UHFFFAOYSA-N
• XLogP: 4.96
• TPSA: 92.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.57
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-propylpentanamide (CID 136605692) is N-[1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-propylpentanamide.

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

The canonical SMILES for N-[1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-propylpentanamide is CCCC(CCC)C(=O)Nc1cc(-c2cccs2)nn1-c1nc(C(C)C)cc(=O)[nH]1.

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

The InChIKey is RIBBIZXGFAFDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2S/c1-5-8-15(9-6-2)21(29)24-19-12-17(18-10-7-11-30-18)26-27(19)22-23-16(14(3)4)13-20(28)25-22/h7,10-15H,5-6,8-9H2,1-4H3,(H,24,29)(H,23,25,28).

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

N-[1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-propylpentanamide has a molecular weight of 427.57 g/mol, XLogP of 4.96, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-propylpentanamide is sourced from PubChem (CID 136605692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).