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

C22H24N4O2 — CID 125127361

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

(7R)-2-(3-methoxyphenyl)-7-[[(2S)-2-phenylpropyl]amino]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 125127361) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is (7R)-2-(3-methoxyphenyl)-7-[[(2S)-2-phenylpropyl]amino]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

• Compound Name: (7R)-2-(3-methoxyphenyl)-7-[[(2S)-2-phenylpropyl]amino]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
• PubChem CID: 125127361
• Molecular Formula: C22H24N4O2
• Molecular Weight: 376.46 g/mol
• Exact Mass: 376.19
• IUPAC Name: (7R)-2-(3-methoxyphenyl)-7-[[(2S)-2-phenylpropyl]amino]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
• SMILES: COc1cccc(-c2cc3n(n2)[C@@H](NC[C@@H](C)c2ccccc2)CNC3=O)c1
• InChI: InChI=1S/C22H24N4O2/c1-15(16-7-4-3-5-8-16)13-23-21-14-24-22(27)20-12-19(25-26(20)21)17-9-6-10-18(11-17)28-2/h3-12,15,21,23H,13-14H2,1-2H3,(H,24,27)/t15-,21-/m1/s1
• InChIKey: MOQNHOULTBHYNQ-QVKFZJNVSA-N
• XLogP: 3.19
• TPSA: 68.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.46
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (7R)-2-(3-methoxyphenyl)-7-[[(2S)-2-phenylpropyl]amino]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 125127361) is (7R)-2-(3-methoxyphenyl)-7-[[(2S)-2-phenylpropyl]amino]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

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

The canonical SMILES for (7R)-2-(3-methoxyphenyl)-7-[[(2S)-2-phenylpropyl]amino]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is COc1cccc(-c2cc3n(n2)[C@@H](NC[C@@H](C)c2ccccc2)CNC3=O)c1.

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

The InChIKey is MOQNHOULTBHYNQ-QVKFZJNVSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-15(16-7-4-3-5-8-16)13-23-21-14-24-22(27)20-12-19(25-26(20)21)17-9-6-10-18(11-17)28-2/h3-12,15,21,23H,13-14H2,1-2H3,(H,24,27)/t15-,21-/m1/s1.

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

(7R)-2-(3-methoxyphenyl)-7-[[(2S)-2-phenylpropyl]amino]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 376.46 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-2-(3-methoxyphenyl)-7-[[(2S)-2-phenylpropyl]amino]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 125127361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).