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N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-3-(pyridin-4-yl)propanamide

ChemBase ID: 450171
Molecular Formular: C16H22N4O
Molecular Mass: 286.37208
Monoisotopic Mass: 286.17936134
SMILES and InChIs

SMILES:
n1(nc(cc1C)C)C(CNC(=O)CCc1ccncc1)C
Canonical SMILES:
O=C(CCc1ccncc1)NCC(n1nc(cc1C)C)C
InChI:
InChI=1S/C16H22N4O/c1-12-10-13(2)20(19-12)14(3)11-18-16(21)5-4-15-6-8-17-9-7-15/h6-10,14H,4-5,11H2,1-3H3,(H,18,21)
InChIKey:
ZNRQDVZAQOCFBE-UHFFFAOYSA-N

Cite this record

CBID:450171 http://www.chembase.cn/molecule-450171.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-3-(pyridin-4-yl)propanamide
IUPAC Traditional name
N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(pyridin-4-yl)propanamide
Synonyms
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-3-pyridin-4-ylpropanamide

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)
Acid pKa 15.433876  H Acceptors
H Donor LogD (pH = 5.5) 1.1123568 
LogD (pH = 7.4) 1.229935  Log P 1.2317113 
Molar Refractivity 93.681 cm3 Polarizability 31.610075 Å3
Polar Surface Area 59.81 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.11  LOG S -0.94 
Polar Surface Area 59.81 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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