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1185293-12-2 molecular structure
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4-ethyl-1,3-dimethyl-1H-pyrazol-5-amine

ChemBase ID: 17223
Molecular Formular: C7H13N3
Molecular Mass: 139.19822
Monoisotopic Mass: 139.11094743
SMILES and InChIs

SMILES:
c1(c(n(nc1C)C)N)CC
Canonical SMILES:
CCc1c(C)nn(c1N)C
InChI:
InChI=1S/C7H13N3/c1-4-6-5(2)9-10(3)7(6)8/h4,8H2,1-3H3
InChIKey:
GUFRXHLYBBQWIV-UHFFFAOYSA-N

Cite this record

CBID:17223 http://www.chembase.cn/molecule-17223.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-ethyl-1,3-dimethyl-1H-pyrazol-5-amine
IUPAC Traditional name
4-ethyl-2,5-dimethylpyrazol-3-amine
Synonyms
4-Ethyl-2,5-dimethyl-2H-pyrazol-3-ylamine
4-ethyl-1,3-dimethyl-1H-pyrazol-5-amine
CAS Number
1185293-12-2
MDL Number
MFCD07186442
PubChem SID
160980530
PubChem CID
6484241

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 6484241 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.7240343  LogD (pH = 7.4) 0.75048333 
Log P 0.7508311  Molar Refractivity 53.1488 cm3
Polarizability 15.396774 Å3 Polar Surface Area 43.84 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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