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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-2-pyrazolo[1,5-a]pyrimidin-5-ylpropanenitrile
CID 115373176
3-pyrazolo[1,5-a]pyrimidin-5-ylpentan-2-ol
CID 115373137
pyrazolo[1,5-a]pyrimidin-5-olate
CID 51386982
2-[2-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]ethoxy]ethanol
CID 114243521
3-(2-methylphenyl)-2-pyrazolo[1,5-a]pyrimidin-5-ylpropanoic acid
CID 104572914
3-hydroxy-2-pyrimidin-2-ylpropanenitrile
CID 63215083
3-pyrazolo[1,5-a]pyrimidin-5-ylsulfanylbutan-1-ol
CID 115372691
2-[propan-2-yl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]ethanol
CID 115372880
3-(3-methylphenyl)-2-pyrazolo[1,5-a]pyrimidin-5-ylpropanoic acid
CID 104572631
4-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]benzonitrile
CID 115372193
2-(4-chlorophenyl)-2-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)ethanol
CID 166271047
3-hydroxy-2-phenylpropanenitrile
CID 11008065

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).