3-hydroxy-2-pyrazolo[1,5-a]pyrimidin-5-ylpropanenitrile

C9H8N4O — CID 115373174

IUPAC3-hydroxy-2-pyrazolo[1,5-a]pyrimidin-5-ylpropanenitrile
SMILESN#CC(CO)c1ccn2nccc2n1
InChIInChI=1S/C9H8N4O/c10-5-7(6-14)8-2-4-13-9(12-8)1-3-11-13/h1-4,7,14H,6H2
InChIKeyDKXSPOARSQTVQA-UHFFFAOYSA-N
MW188.19 g/mol
LogP0.33
Rot. Bonds2

About 3-hydroxy-2-pyrazolo[1,5-a]pyrimidin-5-ylpropanenitrile

3-hydroxy-2-pyrazolo[1,5-a]pyrimidin-5-ylpropanenitrile (PubChem CID 115373174) has the molecular formula C9H8N4O and a molecular weight of 188.19 g/mol. Its IUPAC name is 3-hydroxy-2-pyrazolo[1,5-a]pyrimidin-5-ylpropanenitrile.

Molecular Properties

Compound Name3-hydroxy-2-pyrazolo[1,5-a]pyrimidin-5-ylpropanenitrile
PubChem CID115373174
Molecular FormulaC9H8N4O
Molecular Weight188.19 g/mol
Exact Mass188.07
IUPAC Name3-hydroxy-2-pyrazolo[1,5-a]pyrimidin-5-ylpropanenitrile
SMILESN#CC(CO)c1ccn2nccc2n1
InChIInChI=1S/C9H8N4O/c10-5-7(6-14)8-2-4-13-9(12-8)1-3-11-13/h1-4,7,14H,6H2
InChIKeyDKXSPOARSQTVQA-UHFFFAOYSA-N
XLogP0.33
TPSA74.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-pyrazolo[1,5-a]pyrimidin-5-ylpropanenitrile?
The IUPAC name of 3-hydroxy-2-pyrazolo[1,5-a]pyrimidin-5-ylpropanenitrile (CID 115373174) is 3-hydroxy-2-pyrazolo[1,5-a]pyrimidin-5-ylpropanenitrile.
What is the SMILES notation for 3-hydroxy-2-pyrazolo[1,5-a]pyrimidin-5-ylpropanenitrile?
The canonical SMILES for 3-hydroxy-2-pyrazolo[1,5-a]pyrimidin-5-ylpropanenitrile is N#CC(CO)c1ccn2nccc2n1.
What is the InChIKey of 3-hydroxy-2-pyrazolo[1,5-a]pyrimidin-5-ylpropanenitrile?
The InChIKey is DKXSPOARSQTVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O/c10-5-7(6-14)8-2-4-13-9(12-8)1-3-11-13/h1-4,7,14H,6H2.
What are the key properties of 3-hydroxy-2-pyrazolo[1,5-a]pyrimidin-5-ylpropanenitrile?
3-hydroxy-2-pyrazolo[1,5-a]pyrimidin-5-ylpropanenitrile has a molecular weight of 188.19 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-pyrazolo[1,5-a]pyrimidin-5-ylpropanenitrile is sourced from PubChem (CID 115373174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).