2-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)ethanol

C8H8BrN3O — CID 119031475

IUPAC2-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)ethanol
SMILESOCCc1cnc2c(Br)cnn2c1
InChIInChI=1S/C8H8BrN3O/c9-7-4-11-12-5-6(1-2-13)3-10-8(7)12/h3-5,13H,1-2H2
InChIKeyKXMWKDHPRHTLOX-UHFFFAOYSA-N
MW242.08 g/mol
LogP1.03
Rot. Bonds2

About 2-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)ethanol

2-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)ethanol (PubChem CID 119031475) has the molecular formula C8H8BrN3O and a molecular weight of 242.08 g/mol. Its IUPAC name is 2-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)ethanol.

Molecular Properties

Compound Name2-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)ethanol
PubChem CID119031475
Molecular FormulaC8H8BrN3O
Molecular Weight242.08 g/mol
Exact Mass240.99
IUPAC Name2-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)ethanol
SMILESOCCc1cnc2c(Br)cnn2c1
InChIInChI=1S/C8H8BrN3O/c9-7-4-11-12-5-6(1-2-13)3-10-8(7)12/h3-5,13H,1-2H2
InChIKeyKXMWKDHPRHTLOX-UHFFFAOYSA-N
XLogP1.03
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.08
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)ethanol?
The IUPAC name of 2-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)ethanol (CID 119031475) is 2-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)ethanol.
What is the SMILES notation for 2-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)ethanol?
The canonical SMILES for 2-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)ethanol is OCCc1cnc2c(Br)cnn2c1.
What is the InChIKey of 2-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)ethanol?
The InChIKey is KXMWKDHPRHTLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3O/c9-7-4-11-12-5-6(1-2-13)3-10-8(7)12/h3-5,13H,1-2H2.
What are the key properties of 2-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)ethanol?
2-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)ethanol has a molecular weight of 242.08 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)ethanol is sourced from PubChem (CID 119031475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).