N-(2,3-dimethylphenyl)-3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide

C25H26N4O — CID 20862983

About N-(2,3-dimethylphenyl)-3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide

N-(2,3-dimethylphenyl)-3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide (PubChem CID 20862983) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide.

Molecular Properties

• Compound Name: N-(2,3-dimethylphenyl)-3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
• PubChem CID: 20862983
• Molecular Formula: C25H26N4O
• Molecular Weight: 398.51 g/mol
• Exact Mass: 398.21
• IUPAC Name: N-(2,3-dimethylphenyl)-3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
• SMILES: Cc1cccc(NC(=O)CCc2c(C)nc3cc(-c4ccccc4)nn3c2C)c1C
• InChI: InChI=1S/C25H26N4O/c1-16-9-8-12-22(17(16)2)27-25(30)14-13-21-18(3)26-24-15-23(28-29(24)19(21)4)20-10-6-5-7-11-20/h5-12,15H,13-14H2,1-4H3,(H,27,30)
• InChIKey: GTZVKFLYFSVRPQ-UHFFFAOYSA-N
• XLogP: 5.20
• TPSA: 59.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	398.51
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-(2,3-dimethylphenyl)-3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide (CID 20862983) is N-(2,3-dimethylphenyl)-3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide.

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

The canonical SMILES for N-(2,3-dimethylphenyl)-3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide is Cc1cccc(NC(=O)CCc2c(C)nc3cc(-c4ccccc4)nn3c2C)c1C.

What is the InChIKey of N-(2,3-dimethylphenyl)-3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?

The InChIKey is GTZVKFLYFSVRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O/c1-16-9-8-12-22(17(16)2)27-25(30)14-13-21-18(3)26-24-15-23(28-29(24)19(21)4)20-10-6-5-7-11-20/h5-12,15H,13-14H2,1-4H3,(H,27,30).

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

N-(2,3-dimethylphenyl)-3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide has a molecular weight of 398.51 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dimethylphenyl)-3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide is sourced from PubChem (CID 20862983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).