3-bromo-1-(2-hydroxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

C7H7BrN4O2 — CID 138039687

IUPAC3-bromo-1-(2-hydroxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1c(Br)nn2CCO
InChIInChI=1S/C7H7BrN4O2/c8-5-4-6(9-3-10-7(4)14)12(11-5)1-2-13/h3,13H,1-2H2,(H,9,10,14)
InChIKeyUNFISKWOGQMZJL-UHFFFAOYSA-N
MW259.06 g/mol
LogP-0.13
Rot. Bonds2

About 3-bromo-1-(2-hydroxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

3-bromo-1-(2-hydroxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 138039687) has the molecular formula C7H7BrN4O2 and a molecular weight of 259.06 g/mol. Its IUPAC name is 3-bromo-1-(2-hydroxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-bromo-1-(2-hydroxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID138039687
Molecular FormulaC7H7BrN4O2
Molecular Weight259.06 g/mol
Exact Mass257.98
IUPAC Name3-bromo-1-(2-hydroxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1c(Br)nn2CCO
InChIInChI=1S/C7H7BrN4O2/c8-5-4-6(9-3-10-7(4)14)12(11-5)1-2-13/h3,13H,1-2H2,(H,9,10,14)
InChIKeyUNFISKWOGQMZJL-UHFFFAOYSA-N
XLogP-0.13
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.06
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-hydroxyethyl)-1H,4H,5H-pyrazolo(3,4-d)pyrimidin-4-one
CID 135408778
2-{3-bromo-1-methyl-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl}acetic acid
CID 50989010
3-bromo-1-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135523800
3-Bromo-1-[2,3-dihydroxypropyl]-pyrazolo[3,4-d]pyrimidine-4(5H)-one
CID 135599159
3-Amino-2-(2-hydroxyethyl)-6-(1,1-dimethylethyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 135702348
3-bromo-1-cyclopropyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137146618
2-(3-Bromo-5-methyl-4-oxopyrazolo[5,4-d]pyrimidin-1-yl)acetic acid
CID 139391067
2-(3-bromo-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)acetic acid
CID 155222438
3-bromo-5-(2-hydroxyethylamino)-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 162380608
5-bromo-3-(2-hydroxyethylamino)-1H-pyrazole-4-carboxamide
CID 162380724
3-Bromo-5-(2-methoxyethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 60238046
3-Bromo-5-(2-hydroxy-2-methylpropyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 110932658

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(2-hydroxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 3-bromo-1-(2-hydroxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 138039687) is 3-bromo-1-(2-hydroxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-bromo-1-(2-hydroxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 3-bromo-1-(2-hydroxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is O=c1[nH]cnc2c1c(Br)nn2CCO.
What is the InChIKey of 3-bromo-1-(2-hydroxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is UNFISKWOGQMZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN4O2/c8-5-4-6(9-3-10-7(4)14)12(11-5)1-2-13/h3,13H,1-2H2,(H,9,10,14).
What are the key properties of 3-bromo-1-(2-hydroxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
3-bromo-1-(2-hydroxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 259.06 g/mol, XLogP of -0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(2-hydroxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 138039687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).