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1196154-62-7 molecular structure
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2-[2-(1H-pyrazol-1-yl)pyrimidin-5-yl]ethan-1-amine hydrochloride

ChemBase ID: 815530
Molecular Formular: C9H12ClN5
Molecular Mass: 225.67808
Monoisotopic Mass: 225.07812309
SMILES and InChIs

SMILES:
Cl.C(Cc1cnc(nc1)n1nccc1)N
Canonical SMILES:
NCCc1cnc(nc1)n1cccn1.Cl
InChI:
InChI=1S/C9H11N5.ClH/c10-3-2-8-6-11-9(12-7-8)14-5-1-4-13-14;/h1,4-7H,2-3,10H2;1H
InChIKey:
GSVDJSCALAENBX-UHFFFAOYSA-N

Cite this record

CBID:815530 http://www.chembase.cn/molecule-815530.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[2-(1H-pyrazol-1-yl)pyrimidin-5-yl]ethan-1-amine hydrochloride
IUPAC Traditional name
2-[2-(pyrazol-1-yl)pyrimidin-5-yl]ethanamine hydrochloride
Synonyms
2-(2-(1H-pyrazol-1-yl)pyrimidin-5-yl)ethanamine hydrochloride
CAS Number
1196154-62-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O37858 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O37858 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.7750502  LogD (pH = 7.4) -1.9900931 
Log P 0.22876963  Molar Refractivity 54.2584 cm3
Polarizability 20.089373 Å3 Polar Surface Area 69.62 Å2
Rotatable Bonds Lipinski's Rule of Five true 

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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