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

C20H19FN4O2 — CID 125128714

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

(7S)-2-(4-fluorophenyl)-7-[(3-methoxyphenyl)methylamino]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 125128714) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is (7S)-2-(4-fluorophenyl)-7-[(3-methoxyphenyl)methylamino]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

• Compound Name: (7S)-2-(4-fluorophenyl)-7-[(3-methoxyphenyl)methylamino]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
• PubChem CID: 125128714
• Molecular Formula: C20H19FN4O2
• Molecular Weight: 366.40 g/mol
• Exact Mass: 366.15
• IUPAC Name: (7S)-2-(4-fluorophenyl)-7-[(3-methoxyphenyl)methylamino]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
• SMILES: COc1cccc(CN[C@@H]2CNC(=O)c3cc(-c4ccc(F)cc4)nn32)c1
• InChI: InChI=1S/C20H19FN4O2/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)/t19-/m0/s1
• InChIKey: WMROGFRRLKOBPF-IBGZPJMESA-N
• XLogP: 2.73
• 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	366.40
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (7S)-2-(4-fluorophenyl)-7-[(3-methoxyphenyl)methylamino]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 125128714) is (7S)-2-(4-fluorophenyl)-7-[(3-methoxyphenyl)methylamino]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

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

The canonical SMILES for (7S)-2-(4-fluorophenyl)-7-[(3-methoxyphenyl)methylamino]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is COc1cccc(CN[C@@H]2CNC(=O)c3cc(-c4ccc(F)cc4)nn32)c1.

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

The InChIKey is WMROGFRRLKOBPF-IBGZPJMESA-N. The full InChI is InChI=1S/C20H19FN4O2/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)/t19-/m0/s1.

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

(7S)-2-(4-fluorophenyl)-7-[(3-methoxyphenyl)methylamino]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 366.40 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (7S)-2-(4-fluorophenyl)-7-[(3-methoxyphenyl)methylamino]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 125128714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).