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2-(3-methoxyphenyl)-N-(trimethyl-1H-pyrazol-4-yl)piperidine-1-carboxamide

ChemBase ID: 865691
Molecular Formular: C19H26N4O2
Molecular Mass: 342.43534
Monoisotopic Mass: 342.20557609
SMILES and InChIs

SMILES:
c1(c(n(nc1C)C)C)NC(=O)N1C(c2cc(OC)ccc2)CCCC1
Canonical SMILES:
COc1cccc(c1)C1CCCCN1C(=O)Nc1c(C)nn(c1C)C
InChI:
InChI=1S/C19H26N4O2/c1-13-18(14(2)22(3)21-13)20-19(24)23-11-6-5-10-17(23)15-8-7-9-16(12-15)25-4/h7-9,12,17H,5-6,10-11H2,1-4H3,(H,20,24)
InChIKey:
BFTAMKRDJDORHZ-UHFFFAOYSA-N

Cite this record

CBID:865691 http://www.chembase.cn/molecule-865691.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(3-methoxyphenyl)-N-(trimethyl-1H-pyrazol-4-yl)piperidine-1-carboxamide
IUPAC Traditional name
2-(3-methoxyphenyl)-N-(trimethylpyrazol-4-yl)piperidine-1-carboxamide
Synonyms
2-(3-methoxyphenyl)-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)piperidine-1-carboxamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 66721541 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 11.278846  H Acceptors
H Donor LogD (pH = 5.5) 2.5597541 
LogD (pH = 7.4) 2.5604255  Log P 2.5604894 
Molar Refractivity 110.9237 cm3 Polarizability 37.18734 Å3
Polar Surface Area 59.39 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.7  LOG S -4.0 
Polar Surface Area 59.39 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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