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butyl[(1-ethyl-1H-pyrazol-4-yl)methyl](furan-2-ylmethyl)amine

ChemBase ID: 865968
Molecular Formular: C15H23N3O
Molecular Mass: 261.36262
Monoisotopic Mass: 261.18411237
SMILES and InChIs

SMILES:
c1(cn(nc1)CC)CN(Cc1occc1)CCCC
Canonical SMILES:
CCCCN(Cc1cnn(c1)CC)Cc1ccco1
InChI:
InChI=1S/C15H23N3O/c1-3-5-8-17(13-15-7-6-9-19-15)11-14-10-16-18(4-2)12-14/h6-7,9-10,12H,3-5,8,11,13H2,1-2H3
InChIKey:
CGEUTCBCANVDCK-UHFFFAOYSA-N

Cite this record

CBID:865968 http://www.chembase.cn/molecule-865968.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
butyl[(1-ethyl-1H-pyrazol-4-yl)methyl](furan-2-ylmethyl)amine
IUPAC Traditional name
butyl[(1-ethylpyrazol-4-yl)methyl](furan-2-ylmethyl)amine
Synonyms
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N-(2-furylmethyl)butan-1-amine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 66772601 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Polarizability 29.765951 Å3 Polar Surface Area 34.2 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
LogD (pH = 5.5) 0.41553667  LogD (pH = 7.4) 2.1693215 
Log P 2.8079293  Molar Refractivity 89.1298 cm3
Polar Surface Area 34.2 Å2 Rotatable Bonds
H Acceptors H Donor
Log P 3.15  LOG S -2.79 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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