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

C24H25N5O2S — CID 136605773

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

N-[1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-phenylbutanamide (PubChem CID 136605773) has the molecular formula C24H25N5O2S and a molecular weight of 447.56 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-phenylbutanamide.

Molecular Properties

• Compound Name: N-[1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-phenylbutanamide
• PubChem CID: 136605773
• Molecular Formula: C24H25N5O2S
• Molecular Weight: 447.56 g/mol
• Exact Mass: 447.17
• IUPAC Name: N-[1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-phenylbutanamide
• SMILES: CCC(C(=O)Nc1cc(-c2cccs2)nn1-c1nc(C(C)C)cc(=O)[nH]1)c1ccccc1
• InChI: InChI=1S/C24H25N5O2S/c1-4-17(16-9-6-5-7-10-16)23(31)26-21-13-19(20-11-8-12-32-20)28-29(21)24-25-18(15(2)3)14-22(30)27-24/h5-15,17H,4H2,1-3H3,(H,26,31)(H,25,27,30)
• InChIKey: PRDOGRGYLJMPKE-UHFFFAOYSA-N
• XLogP: 4.94
• TPSA: 92.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.56
LogP ≤ 5	4.94
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-phenylbutanamide?

The IUPAC name of N-[1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-phenylbutanamide (CID 136605773) is N-[1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-phenylbutanamide.

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-phenylbutanamide?

The canonical SMILES for N-[1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-phenylbutanamide is CCC(C(=O)Nc1cc(-c2cccs2)nn1-c1nc(C(C)C)cc(=O)[nH]1)c1ccccc1.

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

The InChIKey is PRDOGRGYLJMPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2S/c1-4-17(16-9-6-5-7-10-16)23(31)26-21-13-19(20-11-8-12-32-20)28-29(21)24-25-18(15(2)3)14-22(30)27-24/h5-15,17H,4H2,1-3H3,(H,26,31)(H,25,27,30).

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-phenylbutanamide?

N-[1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-phenylbutanamide has a molecular weight of 447.56 g/mol, XLogP of 4.94, 7 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-phenylbutanamide is sourced from PubChem (CID 136605773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).