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1001757-60-3 molecular structure
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1-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]piperazine

ChemBase ID: 26852
Molecular Formular: C10H18N4
Molecular Mass: 194.27672
Monoisotopic Mass: 194.1531466
SMILES and InChIs

SMILES:
c1(c(n(nc1)C)C)CN1CCNCC1
Canonical SMILES:
Cc1c(CN2CCNCC2)cnn1C
InChI:
InChI=1S/C10H18N4/c1-9-10(7-12-13(9)2)8-14-5-3-11-4-6-14/h7,11H,3-6,8H2,1-2H3
InChIKey:
JRFJHJWOHLJXCK-UHFFFAOYSA-N

Cite this record

CBID:26852 http://www.chembase.cn/molecule-26852.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]piperazine
IUPAC Traditional name
1-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine
Synonyms
1-[(1,5-Dimethyl-1H-pyrazol-4-yl)methyl]piperazine
CAS Number
1001757-60-3
MDL Number
MFCD02254043
PubChem SID
160990159
PubChem CID
7022276

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 7022276 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.1504297  LogD (pH = 7.4) -1.8238975 
Log P 0.0061356053  Molar Refractivity 69.4092 cm3
Polarizability 22.187185 Å3 Polar Surface Area 33.09 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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