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1,5-dimethyl-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-1H-pyrazole-3-carboxamide

ChemBase ID: 322614
Molecular Formular: C17H29N5O
Molecular Mass: 319.44506
Monoisotopic Mass: 319.23721057
SMILES and InChIs

SMILES:
c1(nn(c(c1)C)C)C(=O)NC1CN(C2CCN(CC2)C)CCC1
Canonical SMILES:
CN1CCC(CC1)N1CCCC(C1)NC(=O)c1nn(c(c1)C)C
InChI:
InChI=1S/C17H29N5O/c1-13-11-16(19-21(13)3)17(23)18-14-5-4-8-22(12-14)15-6-9-20(2)10-7-15/h11,14-15H,4-10,12H2,1-3H3,(H,18,23)
InChIKey:
CQMPWFAYCLNMTG-UHFFFAOYSA-N

Cite this record

CBID:322614 http://www.chembase.cn/molecule-322614.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,5-dimethyl-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
IUPAC Traditional name
1,5-dimethyl-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]pyrazole-3-carboxamide
Synonyms
1,5-dimethyl-N-(1'-methyl-1,4'-bipiperidin-3-yl)-1H-pyrazole-3-carboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 11315337 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)
Acid pKa 14.349712  H Acceptors
H Donor LogD (pH = 5.5) -4.0442295 
LogD (pH = 7.4) -1.3992229  Log P 0.57184905 
Molar Refractivity 104.3956 cm3 Polarizability 35.357056 Å3
Polar Surface Area 53.4 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.76  LOG S -2.59 
Polar Surface Area 53.4 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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