2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)ethanol

C7H7ClN4O — CID 15269873

IUPAC2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)ethanol
SMILESOCCn1ncc2c(Cl)ncnc21
InChIInChI=1S/C7H7ClN4O/c8-6-5-3-11-12(1-2-13)7(5)10-4-9-6/h3-4,13H,1-2H2
InChIKeyCKGXWXQNFGKLIM-UHFFFAOYSA-N
MW198.61 g/mol
LogP0.47
Rot. Bonds2

About 2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)ethanol

2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)ethanol (PubChem CID 15269873) has the molecular formula C7H7ClN4O and a molecular weight of 198.61 g/mol. Its IUPAC name is 2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)ethanol.

Molecular Properties

Compound Name2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)ethanol
PubChem CID15269873
Molecular FormulaC7H7ClN4O
Molecular Weight198.61 g/mol
Exact Mass198.03
IUPAC Name2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)ethanol
SMILESOCCn1ncc2c(Cl)ncnc21
InChIInChI=1S/C7H7ClN4O/c8-6-5-3-11-12(1-2-13)7(5)10-4-9-6/h3-4,13H,1-2H2
InChIKeyCKGXWXQNFGKLIM-UHFFFAOYSA-N
XLogP0.47
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.61
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)ethanol?
The IUPAC name of 2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)ethanol (CID 15269873) is 2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)ethanol.
What is the SMILES notation for 2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)ethanol?
The canonical SMILES for 2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)ethanol is OCCn1ncc2c(Cl)ncnc21.
What is the InChIKey of 2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)ethanol?
The InChIKey is CKGXWXQNFGKLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN4O/c8-6-5-3-11-12(1-2-13)7(5)10-4-9-6/h3-4,13H,1-2H2.
What are the key properties of 2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)ethanol?
2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)ethanol has a molecular weight of 198.61 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)ethanol is sourced from PubChem (CID 15269873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).