2-[7-(benzylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-(4-tert-butylphenyl)ethanone

C25H26N4O — CID 58206993

About 2-[7-(benzylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-(4-tert-butylphenyl)ethanone

2-[7-(benzylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-(4-tert-butylphenyl)ethanone (PubChem CID 58206993) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is 2-[7-(benzylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-(4-tert-butylphenyl)ethanone.

Molecular Properties

• Compound Name: 2-[7-(benzylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-(4-tert-butylphenyl)ethanone
• PubChem CID: 58206993
• Molecular Formula: C25H26N4O
• Molecular Weight: 398.51 g/mol
• Exact Mass: 398.21
• IUPAC Name: 2-[7-(benzylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-(4-tert-butylphenyl)ethanone
• SMILES: CC(C)(C)c1ccc(C(=O)Cc2cc(NCc3ccccc3)n3nccc3n2)cc1
• InChI: InChI=1S/C25H26N4O/c1-25(2,3)20-11-9-19(10-12-20)22(30)15-21-16-24(29-23(28-21)13-14-27-29)26-17-18-7-5-4-6-8-18/h4-14,16,26H,15,17H2,1-3H3
• InChIKey: PEJKWDMEYBWRCZ-UHFFFAOYSA-N
• XLogP: 5.06
• TPSA: 59.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	398.51
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[7-(benzylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-(4-tert-butylphenyl)ethanone?

The IUPAC name of 2-[7-(benzylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-(4-tert-butylphenyl)ethanone (CID 58206993) is 2-[7-(benzylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-(4-tert-butylphenyl)ethanone.

What is the SMILES notation for 2-[7-(benzylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-(4-tert-butylphenyl)ethanone?

The canonical SMILES for 2-[7-(benzylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-(4-tert-butylphenyl)ethanone is CC(C)(C)c1ccc(C(=O)Cc2cc(NCc3ccccc3)n3nccc3n2)cc1.

What is the InChIKey of 2-[7-(benzylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-(4-tert-butylphenyl)ethanone?

The InChIKey is PEJKWDMEYBWRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O/c1-25(2,3)20-11-9-19(10-12-20)22(30)15-21-16-24(29-23(28-21)13-14-27-29)26-17-18-7-5-4-6-8-18/h4-14,16,26H,15,17H2,1-3H3.

What are the key properties of 2-[7-(benzylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-(4-tert-butylphenyl)ethanone?

2-[7-(benzylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-(4-tert-butylphenyl)ethanone has a molecular weight of 398.51 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[7-(benzylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-(4-tert-butylphenyl)ethanone is sourced from PubChem (CID 58206993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).