N-benzyl-3-[4-oxo-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrazin-5-yl]propanamide

C25H26N4O2 — CID 53332287

About N-benzyl-3-[4-oxo-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrazin-5-yl]propanamide

N-benzyl-3-[4-oxo-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrazin-5-yl]propanamide (PubChem CID 53332287) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-benzyl-3-[4-oxo-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrazin-5-yl]propanamide.

Molecular Properties

• Compound Name: N-benzyl-3-[4-oxo-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrazin-5-yl]propanamide
• PubChem CID: 53332287
• Molecular Formula: C25H26N4O2
• Molecular Weight: 414.51 g/mol
• Exact Mass: 414.21
• IUPAC Name: N-benzyl-3-[4-oxo-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrazin-5-yl]propanamide
• SMILES: CC(C)c1ccc(-c2cc3c(=O)n(CCC(=O)NCc4ccccc4)ccn3n2)cc1
• InChI: InChI=1S/C25H26N4O2/c1-18(2)20-8-10-21(11-9-20)22-16-23-25(31)28(14-15-29(23)27-22)13-12-24(30)26-17-19-6-4-3-5-7-19/h3-11,14-16,18H,12-13,17H2,1-2H3,(H,26,30)
• InChIKey: OZNKXFSMVBUKIM-UHFFFAOYSA-N
• XLogP: 3.99
• TPSA: 68.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.51
LogP ≤ 5	3.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[4-oxo-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrazin-5-yl]propanamide?

The IUPAC name of N-benzyl-3-[4-oxo-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrazin-5-yl]propanamide (CID 53332287) is N-benzyl-3-[4-oxo-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrazin-5-yl]propanamide.

What is the SMILES notation for N-benzyl-3-[4-oxo-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrazin-5-yl]propanamide?

The canonical SMILES for N-benzyl-3-[4-oxo-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrazin-5-yl]propanamide is CC(C)c1ccc(-c2cc3c(=O)n(CCC(=O)NCc4ccccc4)ccn3n2)cc1.

What is the InChIKey of N-benzyl-3-[4-oxo-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrazin-5-yl]propanamide?

The InChIKey is OZNKXFSMVBUKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-18(2)20-8-10-21(11-9-20)22-16-23-25(31)28(14-15-29(23)27-22)13-12-24(30)26-17-19-6-4-3-5-7-19/h3-11,14-16,18H,12-13,17H2,1-2H3,(H,26,30).

What are the key properties of N-benzyl-3-[4-oxo-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrazin-5-yl]propanamide?

N-benzyl-3-[4-oxo-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrazin-5-yl]propanamide has a molecular weight of 414.51 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-3-[4-oxo-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrazin-5-yl]propanamide is sourced from PubChem (CID 53332287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).