(7R)-7-(benzylamino)-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

C20H20N4O2 — CID 125127113

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

(7R)-7-(benzylamino)-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 125127113) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is (7R)-7-(benzylamino)-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

• Compound Name: (7R)-7-(benzylamino)-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
• PubChem CID: 125127113
• Molecular Formula: C20H20N4O2
• Molecular Weight: 348.41 g/mol
• Exact Mass: 348.16
• IUPAC Name: (7R)-7-(benzylamino)-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
• SMILES: COc1ccc(-c2cc3n(n2)[C@@H](NCc2ccccc2)CNC3=O)cc1
• InChI: InChI=1S/C20H20N4O2/c1-26-16-9-7-15(8-10-16)17-11-18-20(25)22-13-19(24(18)23-17)21-12-14-5-3-2-4-6-14/h2-11,19,21H,12-13H2,1H3,(H,22,25)/t19-/m1/s1
• InChIKey: KZDSKFXPWRBEKB-LJQANCHMSA-N
• XLogP: 2.59
• TPSA: 68.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.41
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (7R)-7-(benzylamino)-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 125127113) is (7R)-7-(benzylamino)-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

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

The canonical SMILES for (7R)-7-(benzylamino)-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is COc1ccc(-c2cc3n(n2)[C@@H](NCc2ccccc2)CNC3=O)cc1.

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

The InChIKey is KZDSKFXPWRBEKB-LJQANCHMSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-26-16-9-7-15(8-10-16)17-11-18-20(25)22-13-19(24(18)23-17)21-12-14-5-3-2-4-6-14/h2-11,19,21H,12-13H2,1H3,(H,22,25)/t19-/m1/s1.

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

(7R)-7-(benzylamino)-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 348.41 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-7-(benzylamino)-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 125127113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).