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2-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)-N-[1-(3-methyl-1H-pyrazol-5-yl)propan-2-yl]acetamide

ChemBase ID: 460268
Molecular Formular: C20H25N5O
Molecular Mass: 351.4454
Monoisotopic Mass: 351.20591045
SMILES and InChIs

SMILES:
n1(nc(c(c1C)CC(=O)NC(Cc1[nH]nc(c1)C)C)C)c1ccccc1
Canonical SMILES:
O=C(Cc1c(C)nn(c1C)c1ccccc1)NC(Cc1[nH]nc(c1)C)C
InChI:
InChI=1S/C20H25N5O/c1-13(10-17-11-14(2)22-23-17)21-20(26)12-19-15(3)24-25(16(19)4)18-8-6-5-7-9-18/h5-9,11,13H,10,12H2,1-4H3,(H,21,26)(H,22,23)
InChIKey:
PQDOZUPIPDCARE-UHFFFAOYSA-N

Cite this record

CBID:460268 http://www.chembase.cn/molecule-460268.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)-N-[1-(3-methyl-1H-pyrazol-5-yl)propan-2-yl]acetamide
IUPAC Traditional name
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[1-(5-methyl-2H-pyrazol-3-yl)propan-2-yl]acetamide
Synonyms
2-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)-N-[1-methyl-2-(3-methyl-1H-pyrazol-5-yl)ethyl]acetamide

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 14.79424  H Acceptors
H Donor LogD (pH = 5.5) 1.9988137 
LogD (pH = 7.4) 2.0010126  Log P 2.0010407 
Molar Refractivity 104.2406 cm3 Polarizability 39.506653 Å3
Polar Surface Area 75.6 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.44  LOG S -3.85 
Polar Surface Area 75.6 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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