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60706-59-4 molecular structure
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3,5-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-amine

ChemBase ID: 260786
Molecular Formular: C8H15N3
Molecular Mass: 153.2248
Monoisotopic Mass: 153.1265975
SMILES and InChIs

SMILES:
n1(nc(c(c1C)N)C)C(C)C
Canonical SMILES:
Cc1nn(c(c1N)C)C(C)C
InChI:
InChI=1S/C8H15N3/c1-5(2)11-7(4)8(9)6(3)10-11/h5H,9H2,1-4H3
InChIKey:
YWDXPQXEGATNSX-UHFFFAOYSA-N

Cite this record

CBID:260786 http://www.chembase.cn/molecule-260786.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3,5-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-amine
IUPAC Traditional name
1-isopropyl-3,5-dimethylpyrazol-4-amine
Synonyms
3,5-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-amine
1-isopropyl-3,5-dimethyl-1H-pyrazol-4-amine
CAS Number
60706-59-4
MDL Number
MFCD01693703
PubChem SID
164316696
PubChem CID
3031275

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 3031275 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.67554176  LogD (pH = 7.4) 0.6764824 
Log P 0.6764944  Molar Refractivity 58.5704 cm3
Polarizability 17.238165 Å3 Polar Surface Area 43.84 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
58 - 60°C expand Show data source
Hydrophobicity(logP)
0.748 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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