2-(4-fluorophenyl)-5H-pyrazolo[1,5-a]pyrazin-4-one

C12H8FN3O — CID 56770785

IUPAC2-(4-fluorophenyl)-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESO=c1[nH]ccn2nc(-c3ccc(F)cc3)cc12
InChIInChI=1S/C12H8FN3O/c13-9-3-1-8(2-4-9)10-7-11-12(17)14-5-6-16(11)15-10/h1-7H,(H,14,17)
InChIKeyFTKOTDDNGYIJKP-UHFFFAOYSA-N
MW229.21 g/mol
LogP1.83
Rot. Bonds1

About 2-(4-fluorophenyl)-5H-pyrazolo[1,5-a]pyrazin-4-one

2-(4-fluorophenyl)-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 56770785) has the molecular formula C12H8FN3O and a molecular weight of 229.21 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID56770785
Molecular FormulaC12H8FN3O
Molecular Weight229.21 g/mol
Exact Mass229.07
IUPAC Name2-(4-fluorophenyl)-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESO=c1[nH]ccn2nc(-c3ccc(F)cc3)cc12
InChIInChI=1S/C12H8FN3O/c13-9-3-1-8(2-4-9)10-7-11-12(17)14-5-6-16(11)15-10/h1-7H,(H,14,17)
InChIKeyFTKOTDDNGYIJKP-UHFFFAOYSA-N
XLogP1.83
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.21
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-(4-fluorophenyl)-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 56770785) is 2-(4-fluorophenyl)-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-5H-pyrazolo[1,5-a]pyrazin-4-one is O=c1[nH]ccn2nc(-c3ccc(F)cc3)cc12.
What is the InChIKey of 2-(4-fluorophenyl)-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is FTKOTDDNGYIJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3O/c13-9-3-1-8(2-4-9)10-7-11-12(17)14-5-6-16(11)15-10/h1-7H,(H,14,17).
What are the key properties of 2-(4-fluorophenyl)-5H-pyrazolo[1,5-a]pyrazin-4-one?
2-(4-fluorophenyl)-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 229.21 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 56770785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).