N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide

C25H32N4O — CID 34075902

About N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide

N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide (PubChem CID 34075902) has the molecular formula C25H32N4O and a molecular weight of 404.56 g/mol. Its IUPAC name is N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide.

Molecular Properties

• Compound Name: N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
• PubChem CID: 34075902
• Molecular Formula: C25H32N4O
• Molecular Weight: 404.56 g/mol
• Exact Mass: 404.26
• IUPAC Name: N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
• SMILES: Cc1cc2nc(C)c(CCC(=O)N(Cc3ccc(C(C)C)cc3)C3CC3)c(C)n2n1
• InChI: InChI=1S/C25H32N4O/c1-16(2)21-8-6-20(7-9-21)15-28(22-10-11-22)25(30)13-12-23-18(4)26-24-14-17(3)27-29(24)19(23)5/h6-9,14,16,22H,10-13,15H2,1-5H3
• InChIKey: LTLFRGVQLYIONW-UHFFFAOYSA-N
• XLogP: 4.90
• TPSA: 50.50 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.56
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?

The IUPAC name of N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide (CID 34075902) is N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide.

What is the SMILES notation for N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?

The canonical SMILES for N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide is Cc1cc2nc(C)c(CCC(=O)N(Cc3ccc(C(C)C)cc3)C3CC3)c(C)n2n1.

What is the InChIKey of N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?

The InChIKey is LTLFRGVQLYIONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O/c1-16(2)21-8-6-20(7-9-21)15-28(22-10-11-22)25(30)13-12-23-18(4)26-24-14-17(3)27-29(24)19(23)5/h6-9,14,16,22H,10-13,15H2,1-5H3.

What are the key properties of N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?

N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide has a molecular weight of 404.56 g/mol, XLogP of 4.90, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide is sourced from PubChem (CID 34075902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).