Home > Compound List > Compound details
1196154-67-2 molecular structure
click picture or here to close

1-tert-butyl-4-methyl-1H-pyrazol-5-amine

ChemBase ID: 814568
Molecular Formular: C8H15N3
Molecular Mass: 153.2248
Monoisotopic Mass: 153.1265975
SMILES and InChIs

SMILES:
n1(ncc(c1N)C)C(C)(C)C
Canonical SMILES:
Cc1cnn(c1N)C(C)(C)C
InChI:
InChI=1S/C8H15N3/c1-6-5-10-11(7(6)9)8(2,3)4/h5H,9H2,1-4H3
InChIKey:
XJPUSJUADIBFJY-UHFFFAOYSA-N

Cite this record

CBID:814568 http://www.chembase.cn/molecule-814568.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-tert-butyl-4-methyl-1H-pyrazol-5-amine
IUPAC Traditional name
2-tert-butyl-4-methylpyrazol-3-amine
Synonyms
1-tert-butyl-4-methyl-1H-pyrazol-5-amine
CAS Number
1196154-67-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O36760 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O36760 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.2248563  LogD (pH = 7.4) 1.2288015 
Log P 1.2288519  Molar Refractivity 57.7619 cm3
Polarizability 17.317225 Å3 Polar Surface Area 43.84 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle