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149246-87-7 molecular structure
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3-(pyridin-3-yl)-1H-pyrazol-5-amine

ChemBase ID: 306981
Molecular Formular: C8H8N4
Molecular Mass: 160.17592
Monoisotopic Mass: 160.07489628
SMILES and InChIs

SMILES:
c1c(n[nH]c1N)c1cnccc1
Canonical SMILES:
Nc1[nH]nc(c1)c1cccnc1
InChI:
InChI=1S/C8H8N4/c9-8-4-7(11-12-8)6-2-1-3-10-5-6/h1-5H,(H3,9,11,12)
InChIKey:
USKHSGIEOVXVFW-UHFFFAOYSA-N

Cite this record

CBID:306981 http://www.chembase.cn/molecule-306981.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(pyridin-3-yl)-1H-pyrazol-5-amine
IUPAC Traditional name
5-(pyridin-3-yl)-2H-pyrazol-3-amine
Synonyms
3-pyridin-3-yl-1H-pyrazol-5-amine
5-PYRIDIN-3-YL-2H-PYRAZOL-3-YLAMINE
CAS Number
149246-87-7
MDL Number
MFCD11107433

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.104448  Rotatable Bonds
Lipinski's Rule of Five true  H Acceptors
H Donor LogD (pH = 5.5) 0.33207455 
LogD (pH = 7.4) 0.35292488  Log P 0.3531981 
Molar Refractivity 46.3064 cm3 Polarizability 18.333256 Å3
Polar Surface Area 67.59 Å2

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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