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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Related Compounds

3-fluoro-4-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]benzoic acid
CID 104735515
1-[(4-bromo-2-fluorophenyl)methyl]-4-methylpyrazine-2,3-dione
CID 55127512
4-fluoro-3-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]benzoic acid
CID 104735517
5-[(2-amino-6-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104734485
7-[(4-bromo-2-fluorophenyl)methyl]pyrido[2,3-d]pyridazin-8-one
CID 173345182
5-[2-amino-2-(2,4-difluorophenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 107523095
[1-[(4-bromo-2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 66413713
5-methyl-4-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]furan-2-carbohydrazide
CID 104735546
[1-[(4-bromo-2-fluorophenyl)methyl]pyrrol-2-yl]methanamine
CID 66409261
1-[(4-bromo-2-fluorophenyl)methyl]-3-ethylbenzimidazol-2-one
CID 115575620
2-[(4-bromo-2-fluorophenyl)methyl]isoindole-1,3-dione
CID 2773365
N-[[1-[(4-bromo-2-fluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 62221262

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).