3-bromo-5-(2-hydroxyethyl)-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C13H13BrN4O2 — CID 118408004

IUPAC3-bromo-5-(2-hydroxyethyl)-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1c2c(Br)c(-c3ccncc3)nn2CCN1CCO
InChIInChI=1S/C13H13BrN4O2/c14-10-11(9-1-3-15-4-2-9)16-18-6-5-17(7-8-19)13(20)12(10)18/h1-4,19H,5-8H2
InChIKeyCHICAZIPKHPKAR-UHFFFAOYSA-N
MW337.18 g/mol
LogP1.16
Rot. Bonds3

About 3-bromo-5-(2-hydroxyethyl)-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

3-bromo-5-(2-hydroxyethyl)-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 118408004) has the molecular formula C13H13BrN4O2 and a molecular weight of 337.18 g/mol. Its IUPAC name is 3-bromo-5-(2-hydroxyethyl)-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name3-bromo-5-(2-hydroxyethyl)-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID118408004
Molecular FormulaC13H13BrN4O2
Molecular Weight337.18 g/mol
Exact Mass336.02
IUPAC Name3-bromo-5-(2-hydroxyethyl)-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1c2c(Br)c(-c3ccncc3)nn2CCN1CCO
InChIInChI=1S/C13H13BrN4O2/c14-10-11(9-1-3-15-4-2-9)16-18-6-5-17(7-8-19)13(20)12(10)18/h1-4,19H,5-8H2
InChIKeyCHICAZIPKHPKAR-UHFFFAOYSA-N
XLogP1.16
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.18
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(2-hydroxyethyl)-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 3-bromo-5-(2-hydroxyethyl)-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 118408004) is 3-bromo-5-(2-hydroxyethyl)-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 3-bromo-5-(2-hydroxyethyl)-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 3-bromo-5-(2-hydroxyethyl)-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is O=C1c2c(Br)c(-c3ccncc3)nn2CCN1CCO.
What is the InChIKey of 3-bromo-5-(2-hydroxyethyl)-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is CHICAZIPKHPKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4O2/c14-10-11(9-1-3-15-4-2-9)16-18-6-5-17(7-8-19)13(20)12(10)18/h1-4,19H,5-8H2.
What are the key properties of 3-bromo-5-(2-hydroxyethyl)-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
3-bromo-5-(2-hydroxyethyl)-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 337.18 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(2-hydroxyethyl)-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 118408004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).