2,6-dibromo-1,7-dimethylpyrazolo[1,2-a]pyrazole-3,5-dione

C8H6Br2N2O2 — CID 10687259

IUPAC2,6-dibromo-1,7-dimethylpyrazolo[1,2-a]pyrazole-3,5-dione
SMILESCc1c(Br)c(=O)n2c(=O)c(Br)c(C)n12
InChIInChI=1S/C8H6Br2N2O2/c1-3-5(9)7(13)12-8(14)6(10)4(2)11(3)12/h1-2H3
InChIKeyHBBSXZOIPQDSSZ-UHFFFAOYSA-N
MW321.96 g/mol
LogP1.34
Rot. Bonds

About 2,6-dibromo-1,7-dimethylpyrazolo[1,2-a]pyrazole-3,5-dione

2,6-dibromo-1,7-dimethylpyrazolo[1,2-a]pyrazole-3,5-dione (PubChem CID 10687259) has the molecular formula C8H6Br2N2O2 and a molecular weight of 321.96 g/mol. Its IUPAC name is 2,6-dibromo-1,7-dimethylpyrazolo[1,2-a]pyrazole-3,5-dione.

Molecular Properties

Compound Name2,6-dibromo-1,7-dimethylpyrazolo[1,2-a]pyrazole-3,5-dione
PubChem CID10687259
Molecular FormulaC8H6Br2N2O2
Molecular Weight321.96 g/mol
Exact Mass319.88
IUPAC Name2,6-dibromo-1,7-dimethylpyrazolo[1,2-a]pyrazole-3,5-dione
SMILESCc1c(Br)c(=O)n2c(=O)c(Br)c(C)n12
InChIInChI=1S/C8H6Br2N2O2/c1-3-5(9)7(13)12-8(14)6(10)4(2)11(3)12/h1-2H3
InChIKeyHBBSXZOIPQDSSZ-UHFFFAOYSA-N
XLogP1.34
TPSA42.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.96
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-1,7-dimethylpyrazolo[1,2-a]pyrazole-3,5-dione?
The IUPAC name of 2,6-dibromo-1,7-dimethylpyrazolo[1,2-a]pyrazole-3,5-dione (CID 10687259) is 2,6-dibromo-1,7-dimethylpyrazolo[1,2-a]pyrazole-3,5-dione.
What is the SMILES notation for 2,6-dibromo-1,7-dimethylpyrazolo[1,2-a]pyrazole-3,5-dione?
The canonical SMILES for 2,6-dibromo-1,7-dimethylpyrazolo[1,2-a]pyrazole-3,5-dione is Cc1c(Br)c(=O)n2c(=O)c(Br)c(C)n12.
What is the InChIKey of 2,6-dibromo-1,7-dimethylpyrazolo[1,2-a]pyrazole-3,5-dione?
The InChIKey is HBBSXZOIPQDSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Br2N2O2/c1-3-5(9)7(13)12-8(14)6(10)4(2)11(3)12/h1-2H3.
What are the key properties of 2,6-dibromo-1,7-dimethylpyrazolo[1,2-a]pyrazole-3,5-dione?
2,6-dibromo-1,7-dimethylpyrazolo[1,2-a]pyrazole-3,5-dione has a molecular weight of 321.96 g/mol, XLogP of 1.34, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-1,7-dimethylpyrazolo[1,2-a]pyrazole-3,5-dione is sourced from PubChem (CID 10687259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).