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29274-24-6 molecular structure
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5-chloropyrazolo[1,5-a]pyrimidine

ChemBase ID: 50834
Molecular Formular: C6H4ClN3
Molecular Mass: 153.56906
Monoisotopic Mass: 153.00937482
SMILES and InChIs

SMILES:
c12nc(ccn1ncc2)Cl
Canonical SMILES:
Clc1ccn2c(n1)ccn2
InChI:
InChI=1S/C6H4ClN3/c7-5-2-4-10-6(9-5)1-3-8-10/h1-4H
InChIKey:
WEPRLWNMBTYGGD-UHFFFAOYSA-N

Cite this record

CBID:50834 http://www.chembase.cn/molecule-50834.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-chloropyrazolo[1,5-a]pyrimidine
IUPAC Traditional name
5-chloropyrazolo[1,5-a]pyrimidine
Synonyms
5-Chloropyrazolo[1,5-a]pyrimidine
CAS Number
29274-24-6
MDL Number
MFCD04035683
PubChem SID
162055597
PubChem CID
21071759

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 21071759 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.4771668  LogD (pH = 7.4) 1.4771941 
Log P 1.4771944  Molar Refractivity 49.6397 cm3
Polarizability 14.372564 Å3 Polar Surface Area 30.19 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
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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