Home > Compound List > Compound details
3528-56-1 molecular structure
click picture or here to close

1-(furan-2-ylmethyl)-1H-pyrazol-5-amine

ChemBase ID: 15234
Molecular Formular: C8H9N3O
Molecular Mass: 163.17656
Monoisotopic Mass: 163.07456192
SMILES and InChIs

SMILES:
n1(Cc2ccco2)c(ccn1)N
Canonical SMILES:
Nc1ccnn1Cc1ccco1
InChI:
InChI=1S/C8H9N3O/c9-8-3-4-10-11(8)6-7-2-1-5-12-7/h1-5H,6,9H2
InChIKey:
CZTODPMGIIIPHN-UHFFFAOYSA-N

Cite this record

CBID:15234 http://www.chembase.cn/molecule-15234.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(furan-2-ylmethyl)-1H-pyrazol-5-amine
IUPAC Traditional name
2-(furan-2-ylmethyl)pyrazol-3-amine
Synonyms
2-Furan-2-ylmethyl-2H-pyrazol-3-ylamine
1-(2-furylmethyl)-1H-pyrazol-5-amine
CAS Number
3528-56-1
MDL Number
MFCD06011747
PubChem SID
160978541
PubChem CID
2546182

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2546182 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.44293934  LogD (pH = 7.4) 0.44614962 
Log P 0.44619069  Molar Refractivity 55.9186 cm3
Polarizability 16.510649 Å3 Polar Surface Area 56.98 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
0.416 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