N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide

C20H27N5OS — CID 51251082

About N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide (PubChem CID 51251082) has the molecular formula C20H27N5OS and a molecular weight of 385.54 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide.

Molecular Properties

• Compound Name: N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
• PubChem CID: 51251082
• Molecular Formula: C20H27N5OS
• Molecular Weight: 385.54 g/mol
• Exact Mass: 385.19
• IUPAC Name: N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
• SMILES: Cc1cc2nc(C)c(CCC(=O)NCC(c3cccs3)N(C)C)c(C)n2n1
• InChI: InChI=1S/C20H27N5OS/c1-13-11-19-22-14(2)16(15(3)25(19)23-13)8-9-20(26)21-12-17(24(4)5)18-7-6-10-27-18/h6-7,10-11,17H,8-9,12H2,1-5H3,(H,21,26)
• InChIKey: JEGHMCKSSAIWJS-UHFFFAOYSA-N
• XLogP: 3.07
• TPSA: 62.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.54
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?

The IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide (CID 51251082) is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide.

What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?

The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide is Cc1cc2nc(C)c(CCC(=O)NCC(c3cccs3)N(C)C)c(C)n2n1.

What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?

The InChIKey is JEGHMCKSSAIWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5OS/c1-13-11-19-22-14(2)16(15(3)25(19)23-13)8-9-20(26)21-12-17(24(4)5)18-7-6-10-27-18/h6-7,10-11,17H,8-9,12H2,1-5H3,(H,21,26).

What are the key properties of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide has a molecular weight of 385.54 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide is sourced from PubChem (CID 51251082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).