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

C23H24FN5O2 — CID 118062193

IUPAC2-(3-fluorophenyl)-5-N-(2-phenylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCC(C)(NC(=O)N1CCn2nc(-c3cccc(F)c3)c(C(N)=O)c2C1)c1ccccc1
InChIInChI=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)
InChIKeyORBRWQYEOZGRNU-UHFFFAOYSA-N
MW421.48 g/mol
LogP3.25
Rot. Bonds4

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 Name2-(3-fluorophenyl)-5-N-(2-phenylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID118062193
Molecular FormulaC23H24FN5O2
Molecular Weight421.48 g/mol
Exact Mass421.19
IUPAC Name2-(3-fluorophenyl)-5-N-(2-phenylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCC(C)(NC(=O)N1CCn2nc(-c3cccc(F)c3)c(C(N)=O)c2C1)c1ccccc1
InChIInChI=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)
InChIKeyORBRWQYEOZGRNU-UHFFFAOYSA-N
XLogP3.25
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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).