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1197230-21-9 molecular structure
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1-ethyl-3-methyl-1H-pyrazol-4-amine hydrochloride

ChemBase ID: 90740
Molecular Formular: C6H12ClN3
Molecular Mass: 161.63258
Monoisotopic Mass: 161.07197508
SMILES and InChIs

SMILES:
n1c(c(cn1CC)N)C.Cl
Canonical SMILES:
CCn1cc(c(n1)C)N.Cl
InChI:
InChI=1S/C6H11N3.ClH/c1-3-9-4-6(7)5(2)8-9;/h4H,3,7H2,1-2H3;1H
InChIKey:
LBWIPMKVKGUOMW-UHFFFAOYSA-N

Cite this record

CBID:90740 http://www.chembase.cn/molecule-90740.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-ethyl-3-methyl-1H-pyrazol-4-amine hydrochloride
IUPAC Traditional name
1-ethyl-3-methylpyrazol-4-amine hydrochloride
Synonyms
1-Ethyl-3-methyl-1H-pyrazol-4-amine hydrochloride
4-Amino-1-ethyl-3-methyl-1H-pyrazole hydrochloride
1H-Pyrazol-4-amine, 1-ethyl-3-methyl-, hydrochloride
CAS Number
1197230-21-9
MDL Number
MFCD11052940
PubChem SID
162077479
PubChem CID
45156280

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 45156280 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.059926692  LogD (pH = 7.4) 0.06035261 
Log P 0.060358044  Molar Refractivity 49.0019 cm3
Polarizability 13.637125 Å3 Polar Surface Area 43.84 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
Irritant/Keep Cold expand Show data source
Purity
min 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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