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3524-51-4 molecular structure
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1-butyl-4-methyl-1H-pyrazol-5-amine

ChemBase ID: 307339
Molecular Formular: C8H15N3
Molecular Mass: 153.2248
Monoisotopic Mass: 153.1265975
SMILES and InChIs

SMILES:
c1(c(cnn1CCCC)C)N
Canonical SMILES:
CCCCn1ncc(c1N)C
InChI:
InChI=1S/C8H15N3/c1-3-4-5-11-8(9)7(2)6-10-11/h6H,3-5,9H2,1-2H3
InChIKey:
WLSUBAQIYOSKAX-UHFFFAOYSA-N

Cite this record

CBID:307339 http://www.chembase.cn/molecule-307339.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-butyl-4-methyl-1H-pyrazol-5-amine
IUPAC Traditional name
2-butyl-4-methylpyrazol-3-amine
Synonyms
1-butyl-4-methyl-1H-pyrazol-5-amine
CAS Number
3524-51-4
MDL Number
MFCD08059944

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.49411  LogD (pH = 7.4) 1.4987321 
Log P 1.4987913  Molar Refractivity 57.8299 cm3
Polarizability 17.317535 Å3 Polar Surface Area 43.84 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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