2-(3-fluorophenyl)-5-N-(2-phenylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

C₂₃H₂₄FN₅O₂ — CID 118062193

About 2-(3-fluorophenyl)-5-N-(2-phenylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

2-(3-fluorophenyl)-5-N-(2-phenylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 118062193) has the molecular formula C₂₃H₂₄FN₅O₂ and a molecular weight of 421.48 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-N-(2-phenylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

• Compound Name: 2-(3-fluorophenyl)-5-N-(2-phenylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
• PubChem CID: 118062193
• Molecular Formula: C₂₃H₂₄FN₅O₂
• Molecular Weight: 421.48 g/mol
• Exact Mass: 421.19
• IUPAC Name: 2-(3-fluorophenyl)-5-N-(2-phenylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
• SMILES: CC(C)(NC(=O)N1CCn2nc(-c3cccc(F)c3)c(C(N)=O)c2C1)c1ccccc1
• InChI: InChI=1S/C23H24FN5O2/c1-23(2,16-8-4-3-5-9-16)26-22(31)28-11-12-29-18(14-28)19(21(25)30)20(27-29)15-7-6-10-17(24)13-15/h3-10,13H,11-12,14H2,1-2H3,(H2,25,30)(H,26,31)
• InChIKey: ORBRWQYEOZGRNU-UHFFFAOYSA-N
• XLogP: 3.25
• TPSA: 93.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.48
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-5-N-(2-phenylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?

The IUPAC name of 2-(3-fluorophenyl)-5-N-(2-phenylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 118062193) is 2-(3-fluorophenyl)-5-N-(2-phenylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

What is the SMILES notation for 2-(3-fluorophenyl)-5-N-(2-phenylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?

The canonical SMILES for 2-(3-fluorophenyl)-5-N-(2-phenylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is CC(C)(NC(=O)N1CCn2nc(-c3cccc(F)c3)c(C(N)=O)c2C1)c1ccccc1.

What is the InChIKey of 2-(3-fluorophenyl)-5-N-(2-phenylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?

The InChIKey is ORBRWQYEOZGRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O2/c1-23(2,16-8-4-3-5-9-16)26-22(31)28-11-12-29-18(14-28)19(21(25)30)20(27-29)15-7-6-10-17(24)13-15/h3-10,13H,11-12,14H2,1-2H3,(H2,25,30)(H,26,31).

What are the key properties of 2-(3-fluorophenyl)-5-N-(2-phenylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?

2-(3-fluorophenyl)-5-N-(2-phenylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 421.48 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-fluorophenyl)-5-N-(2-phenylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 118062193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 118062193 — identifiers, structure, computed properties (public domain)

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