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1263286-18-5 molecular structure
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3-bromo-7-cyclohexyl-2,5-dimethylpyrazolo[1,5-a]pyrimidine

ChemBase ID: 289027
Molecular Formular: C14H18BrN3
Molecular Mass: 308.21682
Monoisotopic Mass: 307.06840959
SMILES and InChIs

SMILES:
Cc1nc2c(Br)c(C)nn2c(C2CCCCC2)c1
Canonical SMILES:
Cc1cc(C2CCCCC2)n2c(n1)c(Br)c(n2)C
InChI:
InChI=1S/C14H18BrN3/c1-9-8-12(11-6-4-3-5-7-11)18-14(16-9)13(15)10(2)17-18/h8,11H,3-7H2,1-2H3
InChIKey:
VWKBWKCAVZAANT-UHFFFAOYSA-N

Cite this record

CBID:289027 http://www.chembase.cn/molecule-289027.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-bromo-7-cyclohexyl-2,5-dimethylpyrazolo[1,5-a]pyrimidine
IUPAC Traditional name
3-bromo-7-cyclohexyl-2,5-dimethylpyrazolo[1,5-a]pyrimidine
Synonyms
3-Bromo-7-cyclohexyl-2,5-dimethylpyrazolo[1,5-a]pyrimidine
CAS Number
1263286-18-5
MDL Number
MFCD12924857
PubChem SID
180674558
PubChem CID
46835544

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD215956 Please log in.
Data Source Data ID
PubChem 46835544 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.6414177  LogD (pH = 7.4) 3.6415012 
Log P 3.6415021  Molar Refractivity 86.7255 cm3
Polarizability 28.927671 Å3 Polar Surface Area 30.19 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
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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