Home > Compound List > Compound details
29274-23-5 molecular structure
click picture or here to close

4H,7H-pyrazolo[1,5-a]pyrimidin-7-one

ChemBase ID: 50830
Molecular Formular: C6H5N3O
Molecular Mass: 135.1234
Monoisotopic Mass: 135.0432618
SMILES and InChIs

SMILES:
n12c(ccn2)[nH]ccc1=O
Canonical SMILES:
O=c1cc[nH]c2n1ncc2
InChI:
InChI=1S/C6H5N3O/c10-6-2-3-7-5-1-4-8-9(5)6/h1-4,7H
InChIKey:
NOSYRIKBTPXMRH-UHFFFAOYSA-N

Cite this record

CBID:50830 http://www.chembase.cn/molecule-50830.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4H,7H-pyrazolo[1,5-a]pyrimidin-7-one
IUPAC Traditional name
4H-pyrazolo[1,5-a]pyrimidin-7-one
Synonyms
Pyrazolo[1,5-a]pyrimidin-7(4H)-one
CAS Number
29274-23-5
MDL Number
MFCD09746272
PubChem SID
162055593
PubChem CID
335418

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
054355 external link Add to cart Please log in.
Data Source Data ID
PubChem 335418 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.986007  H Acceptors
H Donor LogD (pH = 5.5) 0.1055664 
LogD (pH = 7.4) 0.10555584  Log P 0.10556655 
Molar Refractivity 36.8269 cm3 Polarizability 12.92069 Å3
Polar Surface Area 46.92 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
>95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle