3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(4-ethylphenyl)propanamide

C27H30N4O3 — CID 20863409

About 3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(4-ethylphenyl)propanamide

3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(4-ethylphenyl)propanamide (PubChem CID 20863409) has the molecular formula C27H30N4O3 and a molecular weight of 458.56 g/mol. Its IUPAC name is 3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(4-ethylphenyl)propanamide.

Molecular Properties

• Compound Name: 3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(4-ethylphenyl)propanamide
• PubChem CID: 20863409
• Molecular Formula: C27H30N4O3
• Molecular Weight: 458.56 g/mol
• Exact Mass: 458.23
• IUPAC Name: 3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(4-ethylphenyl)propanamide
• SMILES: CCc1ccc(NC(=O)CCc2c(C)nc3cc(-c4ccc(OC)cc4OC)nn3c2C)cc1
• InChI: InChI=1S/C27H30N4O3/c1-6-19-7-9-20(10-8-19)29-27(32)14-13-22-17(2)28-26-16-24(30-31(26)18(22)3)23-12-11-21(33-4)15-25(23)34-5/h7-12,15-16H,6,13-14H2,1-5H3,(H,29,32)
• InChIKey: KHNMHGCQYRJCCI-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 77.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.56
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(4-ethylphenyl)propanamide?

The IUPAC name of 3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(4-ethylphenyl)propanamide (CID 20863409) is 3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(4-ethylphenyl)propanamide.

What is the SMILES notation for 3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(4-ethylphenyl)propanamide?

The canonical SMILES for 3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(4-ethylphenyl)propanamide is CCc1ccc(NC(=O)CCc2c(C)nc3cc(-c4ccc(OC)cc4OC)nn3c2C)cc1.

What is the InChIKey of 3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(4-ethylphenyl)propanamide?

The InChIKey is KHNMHGCQYRJCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3/c1-6-19-7-9-20(10-8-19)29-27(32)14-13-22-17(2)28-26-16-24(30-31(26)18(22)3)23-12-11-21(33-4)15-25(23)34-5/h7-12,15-16H,6,13-14H2,1-5H3,(H,29,32).

What are the key properties of 3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(4-ethylphenyl)propanamide?

3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(4-ethylphenyl)propanamide has a molecular weight of 458.56 g/mol, XLogP of 5.16, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(4-ethylphenyl)propanamide is sourced from PubChem (CID 20863409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).