Home > Compound List > Compound details
3524-30-9 molecular structure
click picture or here to close

1-(1-methylpiperidin-4-yl)-1H-pyrazol-5-amine

ChemBase ID: 13533
Molecular Formular: C9H16N4
Molecular Mass: 180.25014
Monoisotopic Mass: 180.13749653
SMILES and InChIs

SMILES:
C1N(CCC(C1)n1nccc1N)C
Canonical SMILES:
CN1CCC(CC1)n1nccc1N
InChI:
InChI=1S/C9H16N4/c1-12-6-3-8(4-7-12)13-9(10)2-5-11-13/h2,5,8H,3-4,6-7,10H2,1H3
InChIKey:
QCNNKYQIYTZXJX-UHFFFAOYSA-N

Cite this record

CBID:13533 http://www.chembase.cn/molecule-13533.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(1-methylpiperidin-4-yl)-1H-pyrazol-5-amine
IUPAC Traditional name
2-(1-methylpiperidin-4-yl)pyrazol-3-amine
Synonyms
1-(1-methylpiperidin-4-yl)-1H-pyrazol-5-amine
2-(1-Methyl-piperidin-4-yl)-2H-pyrazol-3-ylamine
CAS Number
3524-30-9
MDL Number
MFCD03856631
PubChem SID
160976840
PubChem CID
1084924

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 1084924 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.390716  LogD (pH = 7.4) -1.7081902 
Log P -0.31172293  Molar Refractivity 64.3662 cm3
Polarizability 20.035738 Å3 Polar Surface Area 47.08 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
98 - 100°C expand Show data source
Hydrophobicity(logP)
-0.47 expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle