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199340-99-3 molecular structure
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3-methyl-1H-pyrazole-4,5-diamine

ChemBase ID: 307775
Molecular Formular: C4H8N4
Molecular Mass: 112.13312
Monoisotopic Mass: 112.07489628
SMILES and InChIs

SMILES:
c1(c([nH]nc1C)N)N
Canonical SMILES:
Cc1n[nH]c(c1N)N
InChI:
InChI=1S/C4H8N4/c1-2-3(5)4(6)8-7-2/h5H2,1H3,(H3,6,7,8)
InChIKey:
CERNMDUMVTYODE-UHFFFAOYSA-N

Cite this record

CBID:307775 http://www.chembase.cn/molecule-307775.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-methyl-1H-pyrazole-4,5-diamine
IUPAC Traditional name
5-methyl-2H-pyrazole-3,4-diamine
Synonyms
3-methyl-1H-pyrazole-4,5-diamine
CAS Number
199340-99-3

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.573921  LogD (pH = 7.4) -1.1684719 
Log P -1.159761  Molar Refractivity 32.991 cm3
Polarizability 11.197608 Å3 Polar Surface Area 80.72 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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