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N-[3-(1H-1,2,3-benzotriazol-1-yl)propyl]-5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-amine

ChemBase ID: 323748
Molecular Formular: C19H23N7
Molecular Mass: 349.43282
Monoisotopic Mass: 349.20149377
SMILES and InChIs

SMILES:
n12c(c(c(n1)C)C)nc(cc2NCCCn1nnc2c1cccc2)CC
Canonical SMILES:
CCc1cc(NCCCn2nnc3c2cccc3)n2c(n1)c(C)c(n2)C
InChI:
InChI=1S/C19H23N7/c1-4-15-12-18(26-19(21-15)13(2)14(3)23-26)20-10-7-11-25-17-9-6-5-8-16(17)22-24-25/h5-6,8-9,12,20H,4,7,10-11H2,1-3H3
InChIKey:
AJWWYCSOAJVKAA-UHFFFAOYSA-N

Cite this record

CBID:323748 http://www.chembase.cn/molecule-323748.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[3-(1H-1,2,3-benzotriazol-1-yl)propyl]-5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
IUPAC Traditional name
N-[3-(1,2,3-benzotriazol-1-yl)propyl]-5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
Synonyms
N-[3-(1H-1,2,3-benzotriazol-1-yl)propyl]-5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-amine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 11477449 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)
H Acceptors H Donor
LogD (pH = 5.5) 3.0048044  LogD (pH = 7.4) 3.0051281 
Log P 3.0051324  Molar Refractivity 124.2423 cm3
Polarizability 39.129704 Å3 Polar Surface Area 72.93 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.83  LOG S -6.13 
Polar Surface Area 72.93 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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