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2-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one

ChemBase ID: 410324
Molecular Formular: C17H28N4O
Molecular Mass: 304.43042
Monoisotopic Mass: 304.22631154
SMILES and InChIs

SMILES:
C12(C(=O)N(CCC2)CCC)CN(CC1)CCc1cn(nc1)C
Canonical SMILES:
CCCN1CCCC2(C1=O)CCN(C2)CCc1cnn(c1)C
InChI:
InChI=1S/C17H28N4O/c1-3-8-21-9-4-6-17(16(21)22)7-11-20(14-17)10-5-15-12-18-19(2)13-15/h12-13H,3-11,14H2,1-2H3
InChIKey:
ULBYGHIKFDHUOV-UHFFFAOYSA-N

Cite this record

CBID:410324 http://www.chembase.cn/molecule-410324.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one
IUPAC Traditional name
2-[2-(1-methylpyrazol-4-yl)ethyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one
Synonyms
2-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) -1.9343388  LogD (pH = 7.4) -0.6866344 
Log P 1.4624032  Molar Refractivity 100.1446 cm3
Polarizability 34.03592 Å3 Polar Surface Area 41.37 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.35  LOG S -2.57 
Polar Surface Area 41.37 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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