2-bromo-3-chloro-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

C6H5BrClN3O — CID 163235555

IUPAC2-bromo-3-chloro-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1NCCn2nc(Br)c(Cl)c21
InChIInChI=1S/C6H5BrClN3O/c7-5-3(8)4-6(12)9-1-2-11(4)10-5/h1-2H2,(H,9,12)
InChIKeyMYQXVDMZJAROEJ-UHFFFAOYSA-N
MW250.48 g/mol
LogP1.04
Rot. Bonds

About 2-bromo-3-chloro-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

2-bromo-3-chloro-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 163235555) has the molecular formula C6H5BrClN3O and a molecular weight of 250.48 g/mol. Its IUPAC name is 2-bromo-3-chloro-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-bromo-3-chloro-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID163235555
Molecular FormulaC6H5BrClN3O
Molecular Weight250.48 g/mol
Exact Mass248.93
IUPAC Name2-bromo-3-chloro-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1NCCn2nc(Br)c(Cl)c21
InChIInChI=1S/C6H5BrClN3O/c7-5-3(8)4-6(12)9-1-2-11(4)10-5/h1-2H2,(H,9,12)
InChIKeyMYQXVDMZJAROEJ-UHFFFAOYSA-N
XLogP1.04
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.48
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-chloro-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-bromo-3-chloro-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 163235555) is 2-bromo-3-chloro-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-bromo-3-chloro-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-bromo-3-chloro-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is O=C1NCCn2nc(Br)c(Cl)c21.
What is the InChIKey of 2-bromo-3-chloro-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is MYQXVDMZJAROEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrClN3O/c7-5-3(8)4-6(12)9-1-2-11(4)10-5/h1-2H2,(H,9,12).
What are the key properties of 2-bromo-3-chloro-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
2-bromo-3-chloro-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 250.48 g/mol, XLogP of 1.04, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-chloro-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 163235555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).