5-[3-(4-fluorophenyl)-2-oxopropyl]pyrazolo[1,5-a]pyrazin-4-one

C15H12FN3O2 — CID 104735055

IUPAC5-[3-(4-fluorophenyl)-2-oxopropyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESO=C(Cc1ccc(F)cc1)Cn1ccn2nccc2c1=O
InChIInChI=1S/C15H12FN3O2/c16-12-3-1-11(2-4-12)9-13(20)10-18-7-8-19-14(15(18)21)5-6-17-19/h1-8H,9-10H2
InChIKeyBENWDNAAWCJIBN-UHFFFAOYSA-N
MW285.28 g/mol
LogP1.45
Rot. Bonds4

About 5-[3-(4-fluorophenyl)-2-oxopropyl]pyrazolo[1,5-a]pyrazin-4-one

5-[3-(4-fluorophenyl)-2-oxopropyl]pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 104735055) has the molecular formula C15H12FN3O2 and a molecular weight of 285.28 g/mol. Its IUPAC name is 5-[3-(4-fluorophenyl)-2-oxopropyl]pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[3-(4-fluorophenyl)-2-oxopropyl]pyrazolo[1,5-a]pyrazin-4-one
PubChem CID104735055
Molecular FormulaC15H12FN3O2
Molecular Weight285.28 g/mol
Exact Mass285.09
IUPAC Name5-[3-(4-fluorophenyl)-2-oxopropyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESO=C(Cc1ccc(F)cc1)Cn1ccn2nccc2c1=O
InChIInChI=1S/C15H12FN3O2/c16-12-3-1-11(2-4-12)9-13(20)10-18-7-8-19-14(15(18)21)5-6-17-19/h1-8H,9-10H2
InChIKeyBENWDNAAWCJIBN-UHFFFAOYSA-N
XLogP1.45
TPSA56.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-fluorophenyl)-2-oxopropyl]pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[3-(4-fluorophenyl)-2-oxopropyl]pyrazolo[1,5-a]pyrazin-4-one (CID 104735055) is 5-[3-(4-fluorophenyl)-2-oxopropyl]pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[3-(4-fluorophenyl)-2-oxopropyl]pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[3-(4-fluorophenyl)-2-oxopropyl]pyrazolo[1,5-a]pyrazin-4-one is O=C(Cc1ccc(F)cc1)Cn1ccn2nccc2c1=O.
What is the InChIKey of 5-[3-(4-fluorophenyl)-2-oxopropyl]pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is BENWDNAAWCJIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2/c16-12-3-1-11(2-4-12)9-13(20)10-18-7-8-19-14(15(18)21)5-6-17-19/h1-8H,9-10H2.
What are the key properties of 5-[3-(4-fluorophenyl)-2-oxopropyl]pyrazolo[1,5-a]pyrazin-4-one?
5-[3-(4-fluorophenyl)-2-oxopropyl]pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 285.28 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-fluorophenyl)-2-oxopropyl]pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 104735055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).