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1211264-90-2 molecular structure
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3-methoxy-1,5-dimethyl-1H-pyrazol-4-amine hydrochloride

ChemBase ID: 55417
Molecular Formular: C6H12ClN3O
Molecular Mass: 177.63198
Monoisotopic Mass: 177.0668897
SMILES and InChIs

SMILES:
c1(c(c(nn1C)OC)N)C.Cl
Canonical SMILES:
COc1nn(c(c1N)C)C.Cl
InChI:
InChI=1S/C6H11N3O.ClH/c1-4-5(7)6(10-3)8-9(4)2;/h7H2,1-3H3;1H
InChIKey:
LSVHEHXZCZMADY-UHFFFAOYSA-N

Cite this record

CBID:55417 http://www.chembase.cn/molecule-55417.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-methoxy-1,5-dimethyl-1H-pyrazol-4-amine hydrochloride
IUPAC Traditional name
3-methoxy-1,5-dimethylpyrazol-4-amine hydrochloride
Synonyms
3-Methoxy-1,5-dimethyl-1H-pyrazol-4-amine hydrochloride
CAS Number
1211264-90-2
MDL Number
MFCD16039353
PubChem SID
162060180
PubChem CID
50998523

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 50998523 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.20851585  LogD (pH = 7.4) 0.20852736 
Log P 0.2085275  Molar Refractivity 51.5882 cm3
Polarizability 14.343323 Å3 Polar Surface Area 53.07 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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