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{[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl}(methyl)[(trimethyl-1H-pyrazol-4-yl)methyl]amine

ChemBase ID: 340069
Molecular Formular: C21H32N4O
Molecular Mass: 356.50498
Monoisotopic Mass: 356.25761166
SMILES and InChIs

SMILES:
c1(c(n(nc1C)C)C)CN(Cc1cc(CN2CCCC2)c(cc1)OC)C
Canonical SMILES:
COc1ccc(cc1CN1CCCC1)CN(Cc1c(C)nn(c1C)C)C
InChI:
InChI=1S/C21H32N4O/c1-16-20(17(2)24(4)22-16)15-23(3)13-18-8-9-21(26-5)19(12-18)14-25-10-6-7-11-25/h8-9,12H,6-7,10-11,13-15H2,1-5H3
InChIKey:
DFMFKRXJKVVNOP-UHFFFAOYSA-N

Cite this record

CBID:340069 http://www.chembase.cn/molecule-340069.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
{[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl}(methyl)[(trimethyl-1H-pyrazol-4-yl)methyl]amine
IUPAC Traditional name
{[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl}(methyl)[(trimethylpyrazol-4-yl)methyl]amine
Synonyms
1-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]-N-methyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]methanamine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) -2.3553746  LogD (pH = 7.4) 0.97965217 
Log P 2.5874302  Molar Refractivity 120.4048 cm3
Polarizability 41.59142 Å3 Polar Surface Area 33.53 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.6  LOG S -3.01 
Polar Surface Area 33.53 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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