Home > Compound List > Compound details
1027511-41-6 molecular structure
click picture or here to close

ethyl 6-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate

ChemBase ID: 88653
Molecular Formular: C9H8BrN3O2
Molecular Mass: 270.08272
Monoisotopic Mass: 268.97998851
SMILES and InChIs

SMILES:
n1cc(cn2c1c(C(=O)OCC)cn2)Br
Canonical SMILES:
CCOC(=O)c1cnn2c1ncc(c2)Br
InChI:
InChI=1S/C9H8BrN3O2/c1-2-15-9(14)7-4-12-13-5-6(10)3-11-8(7)13/h3-5H,2H2,1H3
InChIKey:
PZZTXIWJXOMKEU-UHFFFAOYSA-N

Cite this record

CBID:88653 http://www.chembase.cn/molecule-88653.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 6-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate
IUPAC Traditional name
ethyl 6-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate
Synonyms
6-Bromo-3-(ethoxycarbonyl)pyrazolo[1,5-a]pyrimidine
Ethyl 6-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate
Ethyl 6-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate
6-Bromopyrazolo[1,5-a]pyrimidine-3-carboxylic acid ethyl ester
CAS Number
1027511-41-6
MDL Number
MFCD10574908
PubChem SID
162075574
PubChem CID
45073325

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 45073325 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.782008  LogD (pH = 7.4) 1.7820101 
Log P 1.7820102  Molar Refractivity 68.1703 cm3
Polarizability 21.682833 Å3 Polar Surface Area 56.49 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
141 - 143°C expand Show data source
144-146°C expand Show data source
Hydrophobicity(logP)
1.844 expand Show data source
Storage Warning
Harmful/Irritant expand Show data source
Light Sensitive expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37-60 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
95% expand Show data source
98% 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