6-bromo-1,2,5-trimethylpyrazolo[1,2-a]pyrazole-3,7-dione

C9H9BrN2O2 — CID 13017336

IUPAC6-bromo-1,2,5-trimethylpyrazolo[1,2-a]pyrazole-3,7-dione
SMILESCc1c(C)n2c(=O)c(Br)c(C)n2c1=O
InChIInChI=1S/C9H9BrN2O2/c1-4-5(2)11-9(14)7(10)6(3)12(11)8(4)13/h1-3H3
InChIKeyGCCRAKFZFHDZSR-UHFFFAOYSA-N
MW257.09 g/mol
LogP0.88
Rot. Bonds

About 6-bromo-1,2,5-trimethylpyrazolo[1,2-a]pyrazole-3,7-dione

6-bromo-1,2,5-trimethylpyrazolo[1,2-a]pyrazole-3,7-dione (PubChem CID 13017336) has the molecular formula C9H9BrN2O2 and a molecular weight of 257.09 g/mol. Its IUPAC name is 6-bromo-1,2,5-trimethylpyrazolo[1,2-a]pyrazole-3,7-dione.

Molecular Properties

Compound Name6-bromo-1,2,5-trimethylpyrazolo[1,2-a]pyrazole-3,7-dione
PubChem CID13017336
Molecular FormulaC9H9BrN2O2
Molecular Weight257.09 g/mol
Exact Mass255.98
IUPAC Name6-bromo-1,2,5-trimethylpyrazolo[1,2-a]pyrazole-3,7-dione
SMILESCc1c(C)n2c(=O)c(Br)c(C)n2c1=O
InChIInChI=1S/C9H9BrN2O2/c1-4-5(2)11-9(14)7(10)6(3)12(11)8(4)13/h1-3H3
InChIKeyGCCRAKFZFHDZSR-UHFFFAOYSA-N
XLogP0.88
TPSA42.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.09
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1,2,5-trimethylpyrazolo[1,2-a]pyrazole-3,7-dione?
The IUPAC name of 6-bromo-1,2,5-trimethylpyrazolo[1,2-a]pyrazole-3,7-dione (CID 13017336) is 6-bromo-1,2,5-trimethylpyrazolo[1,2-a]pyrazole-3,7-dione.
What is the SMILES notation for 6-bromo-1,2,5-trimethylpyrazolo[1,2-a]pyrazole-3,7-dione?
The canonical SMILES for 6-bromo-1,2,5-trimethylpyrazolo[1,2-a]pyrazole-3,7-dione is Cc1c(C)n2c(=O)c(Br)c(C)n2c1=O.
What is the InChIKey of 6-bromo-1,2,5-trimethylpyrazolo[1,2-a]pyrazole-3,7-dione?
The InChIKey is GCCRAKFZFHDZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O2/c1-4-5(2)11-9(14)7(10)6(3)12(11)8(4)13/h1-3H3.
What are the key properties of 6-bromo-1,2,5-trimethylpyrazolo[1,2-a]pyrazole-3,7-dione?
6-bromo-1,2,5-trimethylpyrazolo[1,2-a]pyrazole-3,7-dione has a molecular weight of 257.09 g/mol, XLogP of 0.88, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1,2,5-trimethylpyrazolo[1,2-a]pyrazole-3,7-dione is sourced from PubChem (CID 13017336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).