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N-[cyclopropyl(pyridin-2-yl)methyl]-N-methyl-2-(1H-pyrazol-1-yl)benzamide

ChemBase ID: 370348
Molecular Formular: C20H20N4O
Molecular Mass: 332.399
Monoisotopic Mass: 332.16371128
SMILES and InChIs

SMILES:
C(=O)(c1c(n2nccc2)cccc1)N(C(C1CC1)c1ncccc1)C
Canonical SMILES:
CN(C(=O)c1ccccc1n1cccn1)C(c1ccccn1)C1CC1
InChI:
InChI=1S/C20H20N4O/c1-23(19(15-10-11-15)17-8-4-5-12-21-17)20(25)16-7-2-3-9-18(16)24-14-6-13-22-24/h2-9,12-15,19H,10-11H2,1H3
InChIKey:
ZSYMVGFRIXFPQM-UHFFFAOYSA-N

Cite this record

CBID:370348 http://www.chembase.cn/molecule-370348.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[cyclopropyl(pyridin-2-yl)methyl]-N-methyl-2-(1H-pyrazol-1-yl)benzamide
IUPAC Traditional name
N-[cyclopropyl(pyridin-2-yl)methyl]-N-methyl-2-(pyrazol-1-yl)benzamide
Synonyms
N-[cyclopropyl(pyridin-2-yl)methyl]-N-methyl-2-(1H-pyrazol-1-yl)benzamide

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) 2.9237797  LogD (pH = 7.4) 2.9376826 
Log P 2.9378629  Molar Refractivity 96.9123 cm3
Polarizability 37.41966 Å3 Polar Surface Area 51.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.75  LOG S -1.82 
Polar Surface Area 51.02 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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