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3-[1-(3-propyl-1H-pyrazole-5-carbonyl)azetidin-3-yl]pyridine

ChemBase ID: 341629
Molecular Formular: C15H18N4O
Molecular Mass: 270.32962
Monoisotopic Mass: 270.14806122
SMILES and InChIs

SMILES:
c1(C(=O)N2CC(C2)c2cnccc2)[nH]nc(c1)CCC
Canonical SMILES:
CCCc1n[nH]c(c1)C(=O)N1CC(C1)c1cccnc1
InChI:
InChI=1S/C15H18N4O/c1-2-4-13-7-14(18-17-13)15(20)19-9-12(10-19)11-5-3-6-16-8-11/h3,5-8,12H,2,4,9-10H2,1H3,(H,17,18)
InChIKey:
FJACVECWFOIQSH-UHFFFAOYSA-N

Cite this record

CBID:341629 http://www.chembase.cn/molecule-341629.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-[1-(3-propyl-1H-pyrazole-5-carbonyl)azetidin-3-yl]pyridine
IUPAC Traditional name
3-[1-(5-propyl-2H-pyrazole-3-carbonyl)azetidin-3-yl]pyridine
Synonyms
3-{1-[(3-propyl-1H-pyrazol-5-yl)carbonyl]-3-azetidinyl}pyridine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 14046447 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 9.767943  H Acceptors
H Donor LogD (pH = 5.5) 0.971021 
LogD (pH = 7.4) 1.0527704  Log P 1.0557879 
Molar Refractivity 77.565 cm3 Polarizability 28.914215 Å3
Polar Surface Area 61.88 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P -0.11  LOG S -1.09 
Polar Surface Area 61.88 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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