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933749-82-7 molecular structure
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pyrazolo[1,5-a]pyrimidin-3-ylmethanamine

ChemBase ID: 307019
Molecular Formular: C7H8N4
Molecular Mass: 148.16522
Monoisotopic Mass: 148.07489628
SMILES and InChIs

SMILES:
c12n(ncc1CN)cccn2
Canonical SMILES:
NCc1cnn2c1nccc2
InChI:
InChI=1S/C7H8N4/c8-4-6-5-10-11-3-1-2-9-7(6)11/h1-3,5H,4,8H2
InChIKey:
FGRZCMUHPMQSAX-UHFFFAOYSA-N

Cite this record

CBID:307019 http://www.chembase.cn/molecule-307019.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
pyrazolo[1,5-a]pyrimidin-3-ylmethanamine
IUPAC Traditional name
pyrazolo[1,5-a]pyrimidin-3-ylmethanamine
Synonyms
(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)amine
CAS Number
933749-82-7
MDL Number
MFCD19982707

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.1350634  LogD (pH = 7.4) -1.8469707 
Log P -0.22125894  Molar Refractivity 52.247 cm3
Polarizability 15.750283 Å3 Polar Surface Area 56.21 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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