(7S)-7-[(2-chlorophenyl)methylamino]-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

C20H19ClN4O2 — CID 125128220

About (7S)-7-[(2-chlorophenyl)methylamino]-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

(7S)-7-[(2-chlorophenyl)methylamino]-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 125128220) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is (7S)-7-[(2-chlorophenyl)methylamino]-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

• Compound Name: (7S)-7-[(2-chlorophenyl)methylamino]-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
• PubChem CID: 125128220
• Molecular Formula: C20H19ClN4O2
• Molecular Weight: 382.85 g/mol
• Exact Mass: 382.12
• IUPAC Name: (7S)-7-[(2-chlorophenyl)methylamino]-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
• SMILES: COc1ccc(-c2cc3n(n2)[C@H](NCc2ccccc2Cl)CNC3=O)cc1
• InChI: InChI=1S/C20H19ClN4O2/c1-27-15-8-6-13(7-9-15)17-10-18-20(26)23-12-19(25(18)24-17)22-11-14-4-2-3-5-16(14)21/h2-10,19,22H,11-12H2,1H3,(H,23,26)/t19-/m0/s1
• InChIKey: SQIUKZHYLKFALC-IBGZPJMESA-N
• XLogP: 3.24
• TPSA: 68.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.85
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (7S)-7-[(2-chlorophenyl)methylamino]-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?

The IUPAC name of (7S)-7-[(2-chlorophenyl)methylamino]-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 125128220) is (7S)-7-[(2-chlorophenyl)methylamino]-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

What is the SMILES notation for (7S)-7-[(2-chlorophenyl)methylamino]-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?

The canonical SMILES for (7S)-7-[(2-chlorophenyl)methylamino]-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is COc1ccc(-c2cc3n(n2)[C@H](NCc2ccccc2Cl)CNC3=O)cc1.

What is the InChIKey of (7S)-7-[(2-chlorophenyl)methylamino]-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?

The InChIKey is SQIUKZHYLKFALC-IBGZPJMESA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-27-15-8-6-13(7-9-15)17-10-18-20(26)23-12-19(25(18)24-17)22-11-14-4-2-3-5-16(14)21/h2-10,19,22H,11-12H2,1H3,(H,23,26)/t19-/m0/s1.

What are the key properties of (7S)-7-[(2-chlorophenyl)methylamino]-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?

(7S)-7-[(2-chlorophenyl)methylamino]-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 382.85 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (7S)-7-[(2-chlorophenyl)methylamino]-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 125128220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).