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N-[2-(diethylamino)ethyl]-1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N,5-dimethyl-1H-pyrazole-4-carboxamide

ChemBase ID: 322270
Molecular Formular: C23H29FN6O
Molecular Mass: 424.5143632
Monoisotopic Mass: 424.2386878
SMILES and InChIs

SMILES:
c1(c(n(c2nc(c(cn2)C)c2ccc(cc2)F)nc1)C)C(=O)N(CCN(CC)CC)C
Canonical SMILES:
CCN(CCN(C(=O)c1cnn(c1C)c1ncc(c(n1)c1ccc(cc1)F)C)C)CC
InChI:
InChI=1S/C23H29FN6O/c1-6-29(7-2)13-12-28(5)22(31)20-15-26-30(17(20)4)23-25-14-16(3)21(27-23)18-8-10-19(24)11-9-18/h8-11,14-15H,6-7,12-13H2,1-5H3
InChIKey:
JYCHRXLDLPDGNL-UHFFFAOYSA-N

Cite this record

CBID:322270 http://www.chembase.cn/molecule-322270.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[2-(diethylamino)ethyl]-1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N,5-dimethyl-1H-pyrazole-4-carboxamide
IUPAC Traditional name
N-[2-(diethylamino)ethyl]-1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N,5-dimethylpyrazole-4-carboxamide
Synonyms
N-[2-(diethylamino)ethyl]-1-[4-(4-fluorophenyl)-5-methyl-2-pyrimidinyl]-N,5-dimethyl-1H-pyrazole-4-carboxamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 11266398 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)
Polarizability 46.33448 Å3 Polar Surface Area 67.15 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
LogD (pH = 5.5) 0.52590936  LogD (pH = 7.4) 2.1131756 
Log P 3.7333531  Molar Refractivity 122.5896 cm3
Polar Surface Area 67.15 Å2 Rotatable Bonds
H Acceptors H Donor
Log P 3.56  LOG S -4.38 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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