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

C13H9BrFN3O — CID 113446773

IUPAC5-[(4-bromo-2-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESO=c1c2ccnn2ccn1Cc1ccc(Br)cc1F
InChIInChI=1S/C13H9BrFN3O/c14-10-2-1-9(11(15)7-10)8-17-5-6-18-12(13(17)19)3-4-16-18/h1-7H,8H2
InChIKeyHYQVSVHSNJQTGZ-UHFFFAOYSA-N
MW322.14 g/mol
LogP2.45
Rot. Bonds2

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

5-[(4-bromo-2-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 113446773) has the molecular formula C13H9BrFN3O and a molecular weight of 322.14 g/mol. Its IUPAC name is 5-[(4-bromo-2-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[(4-bromo-2-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one
PubChem CID113446773
Molecular FormulaC13H9BrFN3O
Molecular Weight322.14 g/mol
Exact Mass320.99
IUPAC Name5-[(4-bromo-2-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESO=c1c2ccnn2ccn1Cc1ccc(Br)cc1F
InChIInChI=1S/C13H9BrFN3O/c14-10-2-1-9(11(15)7-10)8-17-5-6-18-12(13(17)19)3-4-16-18/h1-7H,8H2
InChIKeyHYQVSVHSNJQTGZ-UHFFFAOYSA-N
XLogP2.45
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.14
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromo-2-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[(4-bromo-2-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one (CID 113446773) is 5-[(4-bromo-2-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[(4-bromo-2-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[(4-bromo-2-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one is O=c1c2ccnn2ccn1Cc1ccc(Br)cc1F.
What is the InChIKey of 5-[(4-bromo-2-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is HYQVSVHSNJQTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFN3O/c14-10-2-1-9(11(15)7-10)8-17-5-6-18-12(13(17)19)3-4-16-18/h1-7H,8H2.
What are the key properties of 5-[(4-bromo-2-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one?
5-[(4-bromo-2-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 322.14 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromo-2-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 113446773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).