2-bromo-7-cyclopropyl-5H-pyrazolo[1,5-a]pyrazin-4-one

C9H8BrN3O — CID 171661478

IUPAC2-bromo-7-cyclopropyl-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESO=c1[nH]cc(C2CC2)n2nc(Br)cc12
InChIInChI=1S/C9H8BrN3O/c10-8-3-6-9(14)11-4-7(5-1-2-5)13(6)12-8/h3-5H,1-2H2,(H,11,14)
InChIKeyNUECTMVYHYEHJU-UHFFFAOYSA-N
MW254.09 g/mol
LogP1.66
Rot. Bonds1

About 2-bromo-7-cyclopropyl-5H-pyrazolo[1,5-a]pyrazin-4-one

2-bromo-7-cyclopropyl-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 171661478) has the molecular formula C9H8BrN3O and a molecular weight of 254.09 g/mol. Its IUPAC name is 2-bromo-7-cyclopropyl-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-bromo-7-cyclopropyl-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID171661478
Molecular FormulaC9H8BrN3O
Molecular Weight254.09 g/mol
Exact Mass252.99
IUPAC Name2-bromo-7-cyclopropyl-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESO=c1[nH]cc(C2CC2)n2nc(Br)cc12
InChIInChI=1S/C9H8BrN3O/c10-8-3-6-9(14)11-4-7(5-1-2-5)13(6)12-8/h3-5H,1-2H2,(H,11,14)
InChIKeyNUECTMVYHYEHJU-UHFFFAOYSA-N
XLogP1.66
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.09
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-7-cyclopropyl-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-bromo-7-cyclopropyl-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 171661478) is 2-bromo-7-cyclopropyl-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-bromo-7-cyclopropyl-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-bromo-7-cyclopropyl-5H-pyrazolo[1,5-a]pyrazin-4-one is O=c1[nH]cc(C2CC2)n2nc(Br)cc12.
What is the InChIKey of 2-bromo-7-cyclopropyl-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is NUECTMVYHYEHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3O/c10-8-3-6-9(14)11-4-7(5-1-2-5)13(6)12-8/h3-5H,1-2H2,(H,11,14).
What are the key properties of 2-bromo-7-cyclopropyl-5H-pyrazolo[1,5-a]pyrazin-4-one?
2-bromo-7-cyclopropyl-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 254.09 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-7-cyclopropyl-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 171661478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).