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2-(5-amino-1-methyl-1H-pyrazol-4-yl)-6-methoxy-N,N-bis(propan-2-yl)benzamide

ChemBase ID: 322279
Molecular Formular: C18H26N4O2
Molecular Mass: 330.42464
Monoisotopic Mass: 330.20557609
SMILES and InChIs

SMILES:
c1(c(n(nc1)C)N)c1c(C(=O)N(C(C)C)C(C)C)c(OC)ccc1
Canonical SMILES:
COc1cccc(c1C(=O)N(C(C)C)C(C)C)c1cnn(c1N)C
InChI:
InChI=1S/C18H26N4O2/c1-11(2)22(12(3)4)18(23)16-13(8-7-9-15(16)24-6)14-10-20-21(5)17(14)19/h7-12H,19H2,1-6H3
InChIKey:
KOZYZTJQWWDZKR-UHFFFAOYSA-N

Cite this record

CBID:322279 http://www.chembase.cn/molecule-322279.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(5-amino-1-methyl-1H-pyrazol-4-yl)-6-methoxy-N,N-bis(propan-2-yl)benzamide
IUPAC Traditional name
2-(5-amino-1-methylpyrazol-4-yl)-N,N-diisopropyl-6-methoxybenzamide
Synonyms
2-(5-amino-1-methyl-1H-pyrazol-4-yl)-N,N-diisopropyl-6-methoxybenzamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 11267653 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

供应商提供(Chembridge) JChem
Rotatable Bonds H Acceptors
H Donor Log P 1.3 
LOG S -2.72  Polar Surface Area 73.38 Å2
Lipinski's Rule of Five true  H Acceptors
H Donor LogD (pH = 5.5) 1.9942143 
LogD (pH = 7.4) 1.9957637  Log P 1.9957834 
Molar Refractivity 107.7211 cm3 Polarizability 37.383835 Å3
Polar Surface Area 73.38 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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