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2-(dimethylamino)-2-(2-methylphenyl)-N-{pyrazolo[1,5-a]pyrimidin-3-ylmethyl}acetamide

ChemBase ID: 341191
Molecular Formular: C18H21N5O
Molecular Mass: 323.39224
Monoisotopic Mass: 323.17461032
SMILES and InChIs

SMILES:
c12n(ncc1CNC(=O)C(c1c(C)cccc1)N(C)C)cccn2
Canonical SMILES:
CN(C(c1ccccc1C)C(=O)NCc1cnn2c1nccc2)C
InChI:
InChI=1S/C18H21N5O/c1-13-7-4-5-8-15(13)16(22(2)3)18(24)20-11-14-12-21-23-10-6-9-19-17(14)23/h4-10,12,16H,11H2,1-3H3,(H,20,24)
InChIKey:
LIZJTLRJELNXBG-UHFFFAOYSA-N

Cite this record

CBID:341191 http://www.chembase.cn/molecule-341191.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(dimethylamino)-2-(2-methylphenyl)-N-{pyrazolo[1,5-a]pyrimidin-3-ylmethyl}acetamide
IUPAC Traditional name
2-(dimethylamino)-2-(2-methylphenyl)-N-{pyrazolo[1,5-a]pyrimidin-3-ylmethyl}acetamide
Synonyms
2-(dimethylamino)-2-(2-methylphenyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 13985317 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 14.046342  H Acceptors
H Donor LogD (pH = 5.5) 0.040089183 
LogD (pH = 7.4) 1.6358904  Log P 1.938937 
Molar Refractivity 104.5189 cm3 Polarizability 35.67937 Å3
Polar Surface Area 62.53 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.57  LOG S -2.9 
Polar Surface Area 62.53 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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