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

C₂₀H₁₆Cl₂FN₅O₂ — CID 118061288

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

4-(3,5-dichlorophenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 118061288) has the molecular formula C₂₀H₁₆Cl₂FN₅O₂ and a molecular weight of 448.29 g/mol. Its IUPAC name is 4-(3,5-dichlorophenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

• Compound Name: 4-(3,5-dichlorophenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
• PubChem CID: 118061288
• Molecular Formula: C₂₀H₁₆Cl₂FN₅O₂
• Molecular Weight: 448.29 g/mol
• Exact Mass: 447.07
• IUPAC Name: 4-(3,5-dichlorophenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
• SMILES: NC(=O)c1c(-c2cccc(F)c2)nn2c1C(c1cc(Cl)cc(Cl)c1)N(C(N)=O)CC2
• InChI: InChI=1S/C20H16Cl2FN5O2/c21-12-6-11(7-13(22)9-12)17-18-15(19(24)29)16(10-2-1-3-14(23)8-10)26-28(18)5-4-27(17)20(25)30/h1-3,6-9,17H,4-5H2,(H2,24,29)(H2,25,30)
• InChIKey: WRFIFXKFXCMSEW-UHFFFAOYSA-N
• XLogP: 3.58
• TPSA: 107.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.29
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 4-(3,5-dichlorophenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 118061288) is 4-(3,5-dichlorophenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

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

The canonical SMILES for 4-(3,5-dichlorophenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is NC(=O)c1c(-c2cccc(F)c2)nn2c1C(c1cc(Cl)cc(Cl)c1)N(C(N)=O)CC2.

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

The InChIKey is WRFIFXKFXCMSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2FN5O2/c21-12-6-11(7-13(22)9-12)17-18-15(19(24)29)16(10-2-1-3-14(23)8-10)26-28(18)5-4-27(17)20(25)30/h1-3,6-9,17H,4-5H2,(H2,24,29)(H2,25,30).

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

4-(3,5-dichlorophenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 448.29 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3,5-dichlorophenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 118061288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 118061288 — identifiers, structure, computed properties (public domain)

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