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3-(4-phenyl-1H-pyrazol-5-yl)piperidine

ChemBase ID: 322402
Molecular Formular: C14H17N3
Molecular Mass: 227.30488
Monoisotopic Mass: 227.14224756
SMILES and InChIs

SMILES:
c1(c([nH]nc1)C1CNCCC1)c1ccccc1
Canonical SMILES:
C1CCC(CN1)c1[nH]ncc1c1ccccc1
InChI:
InChI=1S/C14H17N3/c1-2-5-11(6-3-1)13-10-16-17-14(13)12-7-4-8-15-9-12/h1-3,5-6,10,12,15H,4,7-9H2,(H,16,17)
InChIKey:
AUBLNMKFRQYYDM-UHFFFAOYSA-N

Cite this record

CBID:322402 http://www.chembase.cn/molecule-322402.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(4-phenyl-1H-pyrazol-5-yl)piperidine
IUPAC Traditional name
3-(4-phenyl-2H-pyrazol-3-yl)piperidine
Synonyms
3-(4-phenyl-1H-pyrazol-5-yl)piperidine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 11285958 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 14.400471  H Acceptors
H Donor LogD (pH = 5.5) -1.3072702 
LogD (pH = 7.4) -0.6269224  Log P 1.9133242 
Molar Refractivity 70.1583 cm3 Polarizability 28.083195 Å3
Polar Surface Area 40.71 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.61  LOG S -2.08 
Polar Surface Area 40.71 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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