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

C20H15F4N5O2 — CID 118062178

IUPAC2-(3-fluorophenyl)-5-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESNC(=O)c1c(-c2cccc(F)c2)nn2c1CN(C(=O)Nc1cc(F)c(F)c(F)c1)CC2
InChIInChI=1S/C20H15F4N5O2/c21-11-3-1-2-10(6-11)18-16(19(25)30)15-9-28(4-5-29(15)27-18)20(31)26-12-7-13(22)17(24)14(23)8-12/h1-3,6-8H,4-5,9H2,(H2,25,30)(H,26,31)
InChIKeyLBLVEPCDRGVGGI-UHFFFAOYSA-N
MW433.37 g/mol
LogP3.25
Rot. Bonds3

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

2-(3-fluorophenyl)-5-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 118062178) has the molecular formula C20H15F4N5O2 and a molecular weight of 433.37 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID118062178
Molecular FormulaC20H15F4N5O2
Molecular Weight433.37 g/mol
Exact Mass433.12
IUPAC Name2-(3-fluorophenyl)-5-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESNC(=O)c1c(-c2cccc(F)c2)nn2c1CN(C(=O)Nc1cc(F)c(F)c(F)c1)CC2
InChIInChI=1S/C20H15F4N5O2/c21-11-3-1-2-10(6-11)18-16(19(25)30)15-9-28(4-5-29(15)27-18)20(31)26-12-7-13(22)17(24)14(23)8-12/h1-3,6-8H,4-5,9H2,(H2,25,30)(H,26,31)
InChIKeyLBLVEPCDRGVGGI-UHFFFAOYSA-N
XLogP3.25
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.37
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-5-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 2-(3-fluorophenyl)-5-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 118062178) is 2-(3-fluorophenyl)-5-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for 2-(3-fluorophenyl)-5-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 2-(3-fluorophenyl)-5-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is NC(=O)c1c(-c2cccc(F)c2)nn2c1CN(C(=O)Nc1cc(F)c(F)c(F)c1)CC2.
What is the InChIKey of 2-(3-fluorophenyl)-5-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is LBLVEPCDRGVGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F4N5O2/c21-11-3-1-2-10(6-11)18-16(19(25)30)15-9-28(4-5-29(15)27-18)20(31)26-12-7-13(22)17(24)14(23)8-12/h1-3,6-8H,4-5,9H2,(H2,25,30)(H,26,31).
What are the key properties of 2-(3-fluorophenyl)-5-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
2-(3-fluorophenyl)-5-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 433.37 g/mol, XLogP of 3.25, 3 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-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 118062178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).