5-[(4-bromophenyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one

C14H12BrN3O — CID 113446776

IUPAC5-[(4-bromophenyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cc2c(=O)n(Cc3ccc(Br)cc3)ccn2n1
InChIInChI=1S/C14H12BrN3O/c1-10-8-13-14(19)17(6-7-18(13)16-10)9-11-2-4-12(15)5-3-11/h2-8H,9H2,1H3
InChIKeyNPDATQOAPGYCHL-UHFFFAOYSA-N
MW318.17 g/mol
LogP2.62
Rot. Bonds2

About 5-[(4-bromophenyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one

5-[(4-bromophenyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one (PubChem CID 113446776) has the molecular formula C14H12BrN3O and a molecular weight of 318.17 g/mol. Its IUPAC name is 5-[(4-bromophenyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[(4-bromophenyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
PubChem CID113446776
Molecular FormulaC14H12BrN3O
Molecular Weight318.17 g/mol
Exact Mass317.02
IUPAC Name5-[(4-bromophenyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cc2c(=O)n(Cc3ccc(Br)cc3)ccn2n1
InChIInChI=1S/C14H12BrN3O/c1-10-8-13-14(19)17(6-7-18(13)16-10)9-11-2-4-12(15)5-3-11/h2-8H,9H2,1H3
InChIKeyNPDATQOAPGYCHL-UHFFFAOYSA-N
XLogP2.62
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromophenyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[(4-bromophenyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one (CID 113446776) is 5-[(4-bromophenyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[(4-bromophenyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[(4-bromophenyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one is Cc1cc2c(=O)n(Cc3ccc(Br)cc3)ccn2n1.
What is the InChIKey of 5-[(4-bromophenyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is NPDATQOAPGYCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O/c1-10-8-13-14(19)17(6-7-18(13)16-10)9-11-2-4-12(15)5-3-11/h2-8H,9H2,1H3.
What are the key properties of 5-[(4-bromophenyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one?
5-[(4-bromophenyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 318.17 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromophenyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 113446776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).