Home > Compound List > Compound details
 molecular structure
click picture or here to close

5-{[3-(3,5-dimethyl-1H-pyrazol-1-yl)pyrrolidin-1-yl]methyl}-2-ethoxypyridine

ChemBase ID: 866279
Molecular Formular: C17H24N4O
Molecular Mass: 300.39866
Monoisotopic Mass: 300.19501141
SMILES and InChIs

SMILES:
n1(nc(cc1C)C)C1CN(Cc2cnc(cc2)OCC)CC1
Canonical SMILES:
CCOc1ccc(cn1)CN1CCC(C1)n1nc(cc1C)C
InChI:
InChI=1S/C17H24N4O/c1-4-22-17-6-5-15(10-18-17)11-20-8-7-16(12-20)21-14(3)9-13(2)19-21/h5-6,9-10,16H,4,7-8,11-12H2,1-3H3
InChIKey:
OYUNQGSPHNOLCC-UHFFFAOYSA-N

Cite this record

CBID:866279 http://www.chembase.cn/molecule-866279.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-{[3-(3,5-dimethyl-1H-pyrazol-1-yl)pyrrolidin-1-yl]methyl}-2-ethoxypyridine
IUPAC Traditional name
5-{[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methyl}-2-ethoxypyridine
Synonyms
5-{[3-(3,5-dimethyl-1H-pyrazol-1-yl)pyrrolidin-1-yl]methyl}-2-ethoxypyridine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 66829457 external link Add to cart
Data Source Data ID Price
ChemBridge
66829457 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) -0.3143915  LogD (pH = 7.4) 1.4253922 
Log P 1.9992787  Molar Refractivity 99.2693 cm3
Polarizability 33.63931 Å3 Polar Surface Area 43.18 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.41  LOG S -2.44 
Polar Surface Area 43.18 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

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