2-(3-fluorophenyl)-7-(hydroxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

C13H12FN3O2 — CID 118062871

IUPAC2-(3-fluorophenyl)-7-(hydroxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1NCC(CO)n2nc(-c3cccc(F)c3)cc21
InChIInChI=1S/C13H12FN3O2/c14-9-3-1-2-8(4-9)11-5-12-13(19)15-6-10(7-18)17(12)16-11/h1-5,10,18H,6-7H2,(H,15,19)
InChIKeySLCRTSMBVLJCRP-UHFFFAOYSA-N
MW261.26 g/mol
LogP0.97
Rot. Bonds2

About 2-(3-fluorophenyl)-7-(hydroxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

2-(3-fluorophenyl)-7-(hydroxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 118062871) has the molecular formula C13H12FN3O2 and a molecular weight of 261.26 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-7-(hydroxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-(3-fluorophenyl)-7-(hydroxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID118062871
Molecular FormulaC13H12FN3O2
Molecular Weight261.26 g/mol
Exact Mass261.09
IUPAC Name2-(3-fluorophenyl)-7-(hydroxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1NCC(CO)n2nc(-c3cccc(F)c3)cc21
InChIInChI=1S/C13H12FN3O2/c14-9-3-1-2-8(4-9)11-5-12-13(19)15-6-10(7-18)17(12)16-11/h1-5,10,18H,6-7H2,(H,15,19)
InChIKeySLCRTSMBVLJCRP-UHFFFAOYSA-N
XLogP0.97
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-7-(hydroxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-(3-fluorophenyl)-7-(hydroxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 118062871) is 2-(3-fluorophenyl)-7-(hydroxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-(3-fluorophenyl)-7-(hydroxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-(3-fluorophenyl)-7-(hydroxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is O=C1NCC(CO)n2nc(-c3cccc(F)c3)cc21.
What is the InChIKey of 2-(3-fluorophenyl)-7-(hydroxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is SLCRTSMBVLJCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O2/c14-9-3-1-2-8(4-9)11-5-12-13(19)15-6-10(7-18)17(12)16-11/h1-5,10,18H,6-7H2,(H,15,19).
What are the key properties of 2-(3-fluorophenyl)-7-(hydroxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
2-(3-fluorophenyl)-7-(hydroxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 261.26 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-7-(hydroxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 118062871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).