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64517-88-0 molecular structure
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1,3-dimethyl-1H-pyrazol-4-amine

ChemBase ID: 160055
Molecular Formular: C5H9N3
Molecular Mass: 111.14506
Monoisotopic Mass: 111.0796473
SMILES and InChIs

SMILES:
c1c(c(nn1C)C)N
Canonical SMILES:
Cn1cc(c(n1)C)N
InChI:
InChI=1S/C5H9N3/c1-4-5(6)3-8(2)7-4/h3H,6H2,1-2H3
InChIKey:
AXLKRXWNAFFPDB-UHFFFAOYSA-N

Cite this record

CBID:160055 http://www.chembase.cn/molecule-160055.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,3-dimethyl-1H-pyrazol-4-amine
IUPAC Traditional name
1,3-dimethylpyrazol-4-amine
Synonyms
1,3-Dimethyl-1H-pyrazol-4-amine
1,3-Dimethyl-4-aminopyrazole
4-Amino-1,3-dimethyl-1H-pyrazole
4-Amino-1,3-dimethylpyrazole
1,3-dimethyl-1H-pyrazol-4-amine
CAS Number
64517-88-0
MDL Number
MFCD02055826
PubChem SID
162254190
PubChem CID
4431056

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.29691106  LogD (pH = 7.4) -0.2964557 
Log P -0.2964499  Molar Refractivity 44.2533 cm3
Polarizability 11.799934 Å3 Polar Surface Area 43.84 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
104 - 106°C expand Show data source
Hydrophobicity(logP)
-0.309 expand Show data source
MSDS Link
Download expand Show data source
Purity
95% expand Show data source
98% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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