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126353-18-2 molecular structure
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4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-6-ol

ChemBase ID: 291640
Molecular Formular: C6H9N3O
Molecular Mass: 139.15516
Monoisotopic Mass: 139.07456192
SMILES and InChIs

SMILES:
OC1CNc2ccnn2C1
Canonical SMILES:
OC1CNc2n(C1)ncc2
InChI:
InChI=1S/C6H9N3O/c10-5-3-7-6-1-2-8-9(6)4-5/h1-2,5,7,10H,3-4H2
InChIKey:
AWZOEIIEAAPKIS-UHFFFAOYSA-N

Cite this record

CBID:291640 http://www.chembase.cn/molecule-291640.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-6-ol
IUPAC Traditional name
4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-6-ol
Synonyms
4,5,6,7-Tetrahydropyrazolo[1,5-a]pyrimidin-6-ol
CAS Number
126353-18-2
MDL Number
MFCD19226608
PubChem SID
180677171
PubChem CID
18955285

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD231665 Please log in.
Data Source Data ID
PubChem 18955285 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.345584  H Acceptors
H Donor LogD (pH = 5.5) -0.8416936 
LogD (pH = 7.4) -0.83872294  Log P -0.83868486 
Molar Refractivity 48.402 cm3 Polarizability 13.648947 Å3
Polar Surface Area 50.08 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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