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

C18H18N4O3 — CID 125128428

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

(7S)-7-(furan-2-ylmethylamino)-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 125128428) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is (7S)-7-(furan-2-ylmethylamino)-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

• Compound Name: (7S)-7-(furan-2-ylmethylamino)-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
• PubChem CID: 125128428
• Molecular Formula: C18H18N4O3
• Molecular Weight: 338.37 g/mol
• Exact Mass: 338.14
• IUPAC Name: (7S)-7-(furan-2-ylmethylamino)-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
• SMILES: COc1ccc(-c2cc3n(n2)[C@H](NCc2ccco2)CNC3=O)cc1
• InChI: InChI=1S/C18H18N4O3/c1-24-13-6-4-12(5-7-13)15-9-16-18(23)20-11-17(22(16)21-15)19-10-14-3-2-8-25-14/h2-9,17,19H,10-11H2,1H3,(H,20,23)/t17-/m0/s1
• InChIKey: UVEJGDANVFNFRD-KRWDZBQOSA-N
• XLogP: 2.18
• TPSA: 81.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	338.37
LogP ≤ 5	2.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (7S)-7-(furan-2-ylmethylamino)-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 125128428) is (7S)-7-(furan-2-ylmethylamino)-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

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

The canonical SMILES for (7S)-7-(furan-2-ylmethylamino)-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is COc1ccc(-c2cc3n(n2)[C@H](NCc2ccco2)CNC3=O)cc1.

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

The InChIKey is UVEJGDANVFNFRD-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-24-13-6-4-12(5-7-13)15-9-16-18(23)20-11-17(22(16)21-15)19-10-14-3-2-8-25-14/h2-9,17,19H,10-11H2,1H3,(H,20,23)/t17-/m0/s1.

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

(7S)-7-(furan-2-ylmethylamino)-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 338.37 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (7S)-7-(furan-2-ylmethylamino)-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 125128428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).