2-(4-chlorophenyl)-7-[(3-methoxyphenyl)methylamino]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

C20H19ClN4O2 — CID 91888466

About 2-(4-chlorophenyl)-7-[(3-methoxyphenyl)methylamino]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

2-(4-chlorophenyl)-7-[(3-methoxyphenyl)methylamino]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 91888466) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-7-[(3-methoxyphenyl)methylamino]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

• Compound Name: 2-(4-chlorophenyl)-7-[(3-methoxyphenyl)methylamino]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
• PubChem CID: 91888466
• Molecular Formula: C20H19ClN4O2
• Molecular Weight: 382.85 g/mol
• Exact Mass: 382.12
• IUPAC Name: 2-(4-chlorophenyl)-7-[(3-methoxyphenyl)methylamino]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
• SMILES: COc1cccc(CNC2CNC(=O)c3cc(-c4ccc(Cl)cc4)nn32)c1
• InChI: InChI=1S/C20H19ClN4O2/c1-27-16-4-2-3-13(9-16)11-22-19-12-23-20(26)18-10-17(24-25(18)19)14-5-7-15(21)8-6-14/h2-10,19,22H,11-12H2,1H3,(H,23,26)
• InChIKey: UMWDJKDFBNRPOI-UHFFFAOYSA-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 2-(4-chlorophenyl)-7-[(3-methoxyphenyl)methylamino]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?

The IUPAC name of 2-(4-chlorophenyl)-7-[(3-methoxyphenyl)methylamino]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 91888466) is 2-(4-chlorophenyl)-7-[(3-methoxyphenyl)methylamino]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

What is the SMILES notation for 2-(4-chlorophenyl)-7-[(3-methoxyphenyl)methylamino]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?

The canonical SMILES for 2-(4-chlorophenyl)-7-[(3-methoxyphenyl)methylamino]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is COc1cccc(CNC2CNC(=O)c3cc(-c4ccc(Cl)cc4)nn32)c1.

What is the InChIKey of 2-(4-chlorophenyl)-7-[(3-methoxyphenyl)methylamino]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?

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

What are the key properties of 2-(4-chlorophenyl)-7-[(3-methoxyphenyl)methylamino]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?

2-(4-chlorophenyl)-7-[(3-methoxyphenyl)methylamino]-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 2-(4-chlorophenyl)-7-[(3-methoxyphenyl)methylamino]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 91888466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).