2-bromo-1H-pyrazolo[1,5-a]pyrimidin-7-one

C6H4BrN3O — CID 46180048

IUPAC2-bromo-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1ccnc2cc(Br)[nH]n12
InChIInChI=1S/C6H4BrN3O/c7-4-3-5-8-2-1-6(11)10(5)9-4/h1-3,9H
InChIKeyOFDSFRLXEQUJGL-UHFFFAOYSA-N
MW214.02 g/mol
LogP0.79
Rot. Bonds

About 2-bromo-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-bromo-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 46180048) has the molecular formula C6H4BrN3O and a molecular weight of 214.02 g/mol. Its IUPAC name is 2-bromo-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-bromo-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID46180048
Molecular FormulaC6H4BrN3O
Molecular Weight214.02 g/mol
Exact Mass212.95
IUPAC Name2-bromo-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1ccnc2cc(Br)[nH]n12
InChIInChI=1S/C6H4BrN3O/c7-4-3-5-8-2-1-6(11)10(5)9-4/h1-3,9H
InChIKeyOFDSFRLXEQUJGL-UHFFFAOYSA-N
XLogP0.79
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.02
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-bromo-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 46180048) is 2-bromo-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-bromo-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-bromo-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1ccnc2cc(Br)[nH]n12.
What is the InChIKey of 2-bromo-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is OFDSFRLXEQUJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrN3O/c7-4-3-5-8-2-1-6(11)10(5)9-4/h1-3,9H.
What are the key properties of 2-bromo-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-bromo-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 214.02 g/mol, XLogP of 0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 46180048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).