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1211264-90-2 molecular structure
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3-methoxy-1,5-dimethyl-1H-pyrazol-4-amine

ChemBase ID: 308995
Molecular Formular: C6H11N3O
Molecular Mass: 141.17104
Monoisotopic Mass: 141.09021199
SMILES and InChIs

SMILES:
c1(c(nn(c1C)C)OC)N
Canonical SMILES:
COc1nn(c(c1N)C)C
InChI:
InChI=1S/C6H11N3O/c1-4-5(7)6(10-3)8-9(4)2/h7H2,1-3H3
InChIKey:
OANNGOSSNLIIIV-UHFFFAOYSA-N

Cite this record

CBID:308995 http://www.chembase.cn/molecule-308995.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-methoxy-1,5-dimethyl-1H-pyrazol-4-amine
IUPAC Traditional name
3-methoxy-1,5-dimethylpyrazol-4-amine
Synonyms
3-methoxy-1,5-dimethyl-1H-pyrazol-4-amine
CAS Number
1211264-90-2
MDL Number
MFCD12827516

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 4035644 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.20851585  LogD (pH = 7.4) 0.20852736 
Log P 0.2085275  Molar Refractivity 51.5882 cm3
Polarizability 14.343323 Å3 Polar Surface Area 53.07 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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