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105-20-4 molecular structure
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2-(1H-pyrazol-5-yl)ethan-1-amine

ChemBase ID: 157
Molecular Formular: C5H9N3
Molecular Mass: 111.14506
Monoisotopic Mass: 111.0796473
SMILES and InChIs

SMILES:
[nH]1nccc1CCN
Canonical SMILES:
NCCc1ccn[nH]1
InChI:
InChI=1S/C5H9N3/c6-3-1-5-2-4-7-8-5/h2,4H,1,3,6H2,(H,7,8)
InChIKey:
JXDFEQONERDKSS-UHFFFAOYSA-N

Cite this record

CBID:157 http://www.chembase.cn/molecule-157.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(1H-pyrazol-5-yl)ethan-1-amine
2-(1H-pyrazol-3-yl)ethan-1-amine
IUPAC Traditional name
ametazole
betazole
histalog
Brand Name
Histalog
Synonyms
Betazolo [DCIT]
Betazolum [INN-Latin]
Betazol [INN-Spanish]
Ametazole
Betazole
2-(1H-pyrazol-5-yl)ethanamine
CAS Number
105-20-4
MDL Number
MFCD10697816
PubChem SID
160963620
46506808
PubChem CID
7741
CHEBI ID
59170
ATC CODE
V04CG02
CHEMBL
1201323
Chemspider ID
7455
Unique Ingredient Identifier
1C065P542O
Wikipedia Title
Betazole

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem ALOGPS 2.1
Acid pKa 15.157824  H Acceptors
H Donor LogD (pH = 5.5) -3.2725081 
LogD (pH = 7.4) -2.3841794  Log P -0.27831712 
Molar Refractivity 32.396 cm3 Polarizability 12.26278 Å3
Polar Surface Area 54.7 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
Log P -0.64  LOG S 0.15 
Solubility (Water) 1.56e+02 g/l 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
0.1 expand Show data source
Purity
98% expand Show data source

DETAILS

DETAILS

DrugBank DrugBank Wikipedia Wikipedia
DrugBank - DB00272 external link
Item Information
Drug Groups approved
Description A histamine H2 agonist used clinically to test gastric secretory function. [PubChem]
Indication For use clinically to test gastric secretory function.
Pharmacology Betazole is a histamine H2 agonist used in a test for measuring maximal production of gastric acidity or anacidity. This measurement can be used to diagnose diseases such as Zollinger-Ellison syndrome, whereby the volume of gastric and basal secretions is measured following betazole administration (greater than 60% of the maximal acid secretion following betazole stimulation). In another test, gastritis can be diagnosed given late absence of gastric acid which is unresponsive to betazole stimulation. Betazole can be used as a gastric secretory stimulant instead of histamine with the advantage of not provoking side effects and thus not requiring the use of antihistaminic compounds.
Affected Organisms
Humans and other mammals
Absorption Rapid and complete.
Protein Binding > 99%
External Links
Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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