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[(3-fluoropyridin-2-yl)methyl](methyl){[4-(1H-pyrazol-1-yl)phenyl]methyl}amine

ChemBase ID: 865891
Molecular Formular: C17H17FN4
Molecular Mass: 296.3420832
Monoisotopic Mass: 296.14372478
SMILES and InChIs

SMILES:
n1(nccc1)c1ccc(CN(Cc2ncccc2F)C)cc1
Canonical SMILES:
CN(Cc1ncccc1F)Cc1ccc(cc1)n1cccn1
InChI:
InChI=1S/C17H17FN4/c1-21(13-17-16(18)4-2-9-19-17)12-14-5-7-15(8-6-14)22-11-3-10-20-22/h2-11H,12-13H2,1H3
InChIKey:
WZDJFWTVDAPUIA-UHFFFAOYSA-N

Cite this record

CBID:865891 http://www.chembase.cn/molecule-865891.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(3-fluoropyridin-2-yl)methyl](methyl){[4-(1H-pyrazol-1-yl)phenyl]methyl}amine
IUPAC Traditional name
[(3-fluoropyridin-2-yl)methyl](methyl){[4-(pyrazol-1-yl)phenyl]methyl}amine
Synonyms
1-(3-fluoro-2-pyridinyl)-N-methyl-N-[4-(1H-pyrazol-1-yl)benzyl]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) 1.8766502  LogD (pH = 7.4) 2.6989522 
Log P 2.7314355  Molar Refractivity 85.1123 cm3
Polarizability 32.795486 Å3 Polar Surface Area 33.95 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.29  LOG S -2.31 
Polar Surface Area 33.95 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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