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N-cyclohexyl-1-methyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine

ChemBase ID: 865856
Molecular Formular: C20H32N4O
Molecular Mass: 344.49428
Monoisotopic Mass: 344.25761166
SMILES and InChIs

SMILES:
c1(c2c(n(n1)C)CCC(C2)NC1CCCCC1)C(=O)N1CCCCC1
Canonical SMILES:
O=C(c1nn(c2c1CC(CC2)NC1CCCCC1)C)N1CCCCC1
InChI:
InChI=1S/C20H32N4O/c1-23-18-11-10-16(21-15-8-4-2-5-9-15)14-17(18)19(22-23)20(25)24-12-6-3-7-13-24/h15-16,21H,2-14H2,1H3
InChIKey:
CCSYWCBWBNNOSW-UHFFFAOYSA-N

Cite this record

CBID:865856 http://www.chembase.cn/molecule-865856.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-cyclohexyl-1-methyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine
IUPAC Traditional name
N-cyclohexyl-1-methyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-amine
Synonyms
N-cyclohexyl-1-methyl-3-(1-piperidinylcarbonyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 66751528 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)
H Acceptors H Donor
LogD (pH = 5.5) -0.33328626  LogD (pH = 7.4) 0.30221194 
Log P 2.8899133  Molar Refractivity 112.2327 cm3
Polarizability 38.54503 Å3 Polar Surface Area 50.16 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.87  LOG S -4.82 
Polar Surface Area 50.16 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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