6-(2-hydroxyethyl)-5-methyl-7-oxo-4H,7H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile|6-(2-hydroxyethyl)-5-methyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile|6-(2-hydroxyethyl)-5-methyl-7-o...

General Information

Structure

Molecular Formula

C₁₀H₁₀N₄O₂

Molecular Mass

218.212

Exact Mass

218.08037558

Charge

InChI

InChI=1S/C10H10N4O2/c1-6-8(2-3-15)10(16)14-9(13-6)7(4-11)5-12-14/h5,13,15H,2-3H2,1H3

InChIKey

IYMPTPWYYALESH-UHFFFAOYSA-N

Canonic Smiles

Cc1c(CCO)c(=O)n2c([nH]1)c(cn2)C#N

Isomeric Smiles

n12c([nH]c(c(c1=O)CCO)C)c(cn2)C#N

Calculated Properties

JChem

Acid pKa

10.939801

H Acceptors

H Donor

LogD (pH = 5.5)

-0.4328255

LogD (pH = 7.4)

-0.43294308

Log P

-0.43282402

Molar Refractivity

59.2544

Polarizability

20.936024

Polar Surface Area

90.94

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

6-(2-hydroxyethyl)-5-methyl-7-oxo-4H,7H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

Synonyms

6-(2-hydroxyethyl)-5-methyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile

IUPAC Traditional name

6-(2-hydroxyethyl)-5-methyl-7-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

Names and Identifiers

Registration numbers

PubChem SID

162219131

PubChem CID

3829436

Registration numbers

Properties

No Data Available

Click here to submit data

Related Proteins

No Data Available

Click here to submit data

Molecular Spectra

No Data Available

Click here to submit data

Molecule Details

暂无数据

点击上传数据

References

PubChem Literature

No Data Available

Click here to submit data

References

Bioactivity

PubChem BioAssay

Bioactivity

Molecule

ID:124778