N-[(5-ethylthiophen-2-yl)methyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide

C19H24N4OS — CID 46475586

About N-[(5-ethylthiophen-2-yl)methyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide

N-[(5-ethylthiophen-2-yl)methyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide (PubChem CID 46475586) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)methyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide.

Molecular Properties

• Compound Name: N-[(5-ethylthiophen-2-yl)methyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
• PubChem CID: 46475586
• Molecular Formula: C19H24N4OS
• Molecular Weight: 356.50 g/mol
• Exact Mass: 356.17
• IUPAC Name: N-[(5-ethylthiophen-2-yl)methyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
• SMILES: CCc1ccc(CNC(=O)CCc2c(C)nc3cc(C)nn3c2C)s1
• InChI: InChI=1S/C19H24N4OS/c1-5-15-6-7-16(25-15)11-20-19(24)9-8-17-13(3)21-18-10-12(2)22-23(18)14(17)4/h6-7,10H,5,8-9,11H2,1-4H3,(H,20,24)
• InChIKey: QYKPAZKCIAISCL-UHFFFAOYSA-N
• XLogP: 3.53
• TPSA: 59.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.50
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide (CID 46475586) is N-[(5-ethylthiophen-2-yl)methyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide.

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

The canonical SMILES for N-[(5-ethylthiophen-2-yl)methyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide is CCc1ccc(CNC(=O)CCc2c(C)nc3cc(C)nn3c2C)s1.

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

The InChIKey is QYKPAZKCIAISCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS/c1-5-15-6-7-16(25-15)11-20-19(24)9-8-17-13(3)21-18-10-12(2)22-23(18)14(17)4/h6-7,10H,5,8-9,11H2,1-4H3,(H,20,24).

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

N-[(5-ethylthiophen-2-yl)methyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide has a molecular weight of 356.50 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-ethylthiophen-2-yl)methyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide is sourced from PubChem (CID 46475586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).