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1-methyl-5-(4-methylpiperidin-1-yl)-3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1H-indazole

ChemBase ID: 340643
Molecular Formular: C19H30N4O
Molecular Mass: 330.4677
Monoisotopic Mass: 330.2419616
SMILES and InChIs

SMILES:
c1(c2c(n(n1)C)CCC(C2)N1CCC(CC1)C)C(=O)N1CCCC1
Canonical SMILES:
CC1CCN(CC1)C1CCc2c(C1)c(nn2C)C(=O)N1CCCC1
InChI:
InChI=1S/C19H30N4O/c1-14-7-11-22(12-8-14)15-5-6-17-16(13-15)18(20-21(17)2)19(24)23-9-3-4-10-23/h14-15H,3-13H2,1-2H3
InChIKey:
BGPTZGJMZHUNQC-UHFFFAOYSA-N

Cite this record

CBID:340643 http://www.chembase.cn/molecule-340643.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-methyl-5-(4-methylpiperidin-1-yl)-3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1H-indazole
IUPAC Traditional name
1-methyl-5-(4-methylpiperidin-1-yl)-3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydroindazole
Synonyms
1-methyl-5-(4-methyl-1-piperidinyl)-3-(1-pyrrolidinylcarbonyl)-4,5,6,7-tetrahydro-1H-indazole

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) -0.9538902  LogD (pH = 7.4) 0.7017704 
Log P 2.1665072  Molar Refractivity 108.6028 cm3
Polarizability 36.70439 Å3 Polar Surface Area 41.37 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.44  LOG S -3.95 
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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