1-[2-(1-hydroxy-2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(5-methylpyrazol-1-yl)propan-1-one

C21H25N5O2 — CID 90653276

About 1-[2-(1-hydroxy-2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(5-methylpyrazol-1-yl)propan-1-one

1-[2-(1-hydroxy-2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(5-methylpyrazol-1-yl)propan-1-one (PubChem CID 90653276) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-[2-(1-hydroxy-2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(5-methylpyrazol-1-yl)propan-1-one.

Molecular Properties

• Compound Name: 1-[2-(1-hydroxy-2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
• PubChem CID: 90653276
• Molecular Formula: C21H25N5O2
• Molecular Weight: 379.46 g/mol
• Exact Mass: 379.20
• IUPAC Name: 1-[2-(1-hydroxy-2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
• SMILES: Cc1ccnn1CCC(=O)N1CCn2nc(C(O)Cc3ccccc3)cc2C1
• InChI: InChI=1S/C21H25N5O2/c1-16-7-9-22-25(16)10-8-21(28)24-11-12-26-18(15-24)14-19(23-26)20(27)13-17-5-3-2-4-6-17/h2-7,9,14,20,27H,8,10-13,15H2,1H3
• InChIKey: ITUPYEYAJRVBOA-UHFFFAOYSA-N
• XLogP: 2.10
• TPSA: 76.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.46
LogP ≤ 5	2.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-hydroxy-2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(5-methylpyrazol-1-yl)propan-1-one?

The IUPAC name of 1-[2-(1-hydroxy-2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(5-methylpyrazol-1-yl)propan-1-one (CID 90653276) is 1-[2-(1-hydroxy-2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(5-methylpyrazol-1-yl)propan-1-one.

What is the SMILES notation for 1-[2-(1-hydroxy-2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(5-methylpyrazol-1-yl)propan-1-one?

The canonical SMILES for 1-[2-(1-hydroxy-2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(5-methylpyrazol-1-yl)propan-1-one is Cc1ccnn1CCC(=O)N1CCn2nc(C(O)Cc3ccccc3)cc2C1.

What is the InChIKey of 1-[2-(1-hydroxy-2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(5-methylpyrazol-1-yl)propan-1-one?

The InChIKey is ITUPYEYAJRVBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-16-7-9-22-25(16)10-8-21(28)24-11-12-26-18(15-24)14-19(23-26)20(27)13-17-5-3-2-4-6-17/h2-7,9,14,20,27H,8,10-13,15H2,1H3.

What are the key properties of 1-[2-(1-hydroxy-2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(5-methylpyrazol-1-yl)propan-1-one?

1-[2-(1-hydroxy-2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(5-methylpyrazol-1-yl)propan-1-one has a molecular weight of 379.46 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(1-hydroxy-2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(5-methylpyrazol-1-yl)propan-1-one is sourced from PubChem (CID 90653276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).