3-bromo-2-(trifluoromethyl)-5H-pyrazolo[1,5-a]pyrazin-4-one

C7H3BrF3N3O — CID 155035721

IUPAC3-bromo-2-(trifluoromethyl)-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESO=c1[nH]ccn2nc(C(F)(F)F)c(Br)c12
InChIInChI=1S/C7H3BrF3N3O/c8-3-4-6(15)12-1-2-14(4)13-5(3)7(9,10)11/h1-2H,(H,12,15)
InChIKeyNPRXDGWHKARCQS-UHFFFAOYSA-N
MW282.02 g/mol
LogP1.80
Rot. Bonds

About 3-bromo-2-(trifluoromethyl)-5H-pyrazolo[1,5-a]pyrazin-4-one

3-bromo-2-(trifluoromethyl)-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 155035721) has the molecular formula C7H3BrF3N3O and a molecular weight of 282.02 g/mol. Its IUPAC name is 3-bromo-2-(trifluoromethyl)-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name3-bromo-2-(trifluoromethyl)-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID155035721
Molecular FormulaC7H3BrF3N3O
Molecular Weight282.02 g/mol
Exact Mass280.94
IUPAC Name3-bromo-2-(trifluoromethyl)-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESO=c1[nH]ccn2nc(C(F)(F)F)c(Br)c12
InChIInChI=1S/C7H3BrF3N3O/c8-3-4-6(15)12-1-2-14(4)13-5(3)7(9,10)11/h1-2H,(H,12,15)
InChIKeyNPRXDGWHKARCQS-UHFFFAOYSA-N
XLogP1.80
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.02
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(trifluoromethyl)-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 3-bromo-2-(trifluoromethyl)-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 155035721) is 3-bromo-2-(trifluoromethyl)-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 3-bromo-2-(trifluoromethyl)-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 3-bromo-2-(trifluoromethyl)-5H-pyrazolo[1,5-a]pyrazin-4-one is O=c1[nH]ccn2nc(C(F)(F)F)c(Br)c12.
What is the InChIKey of 3-bromo-2-(trifluoromethyl)-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is NPRXDGWHKARCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF3N3O/c8-3-4-6(15)12-1-2-14(4)13-5(3)7(9,10)11/h1-2H,(H,12,15).
What are the key properties of 3-bromo-2-(trifluoromethyl)-5H-pyrazolo[1,5-a]pyrazin-4-one?
3-bromo-2-(trifluoromethyl)-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 282.02 g/mol, XLogP of 1.80, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(trifluoromethyl)-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 155035721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).