Home > Compound List > Compound details
1015846-23-7 molecular structure
click picture or here to close

[(1-methyl-1H-pyrazol-4-yl)methyl](propan-2-yl)amine

ChemBase ID: 261940
Molecular Formular: C8H15N3
Molecular Mass: 153.2248
Monoisotopic Mass: 153.1265975
SMILES and InChIs

SMILES:
n1n(cc(c1)CNC(C)C)C
Canonical SMILES:
CC(NCc1cnn(c1)C)C
InChI:
InChI=1S/C8H15N3/c1-7(2)9-4-8-5-10-11(3)6-8/h5-7,9H,4H2,1-3H3
InChIKey:
NCQZOTZKSQUJRS-UHFFFAOYSA-N

Cite this record

CBID:261940 http://www.chembase.cn/molecule-261940.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(1-methyl-1H-pyrazol-4-yl)methyl](propan-2-yl)amine
IUPAC Traditional name
isopropyl[(1-methylpyrazol-4-yl)methyl]amine
Synonyms
[(1-methyl-1H-pyrazol-4-yl)methyl](propan-2-yl)amine
N-[(1-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine
CAS Number
1015846-23-7
MDL Number
MFCD09055384
PubChem SID
164317850
PubChem CID
28065244

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 28065244 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.38942  LogD (pH = 7.4) -1.0963529 
Log P 0.7328377  Molar Refractivity 57.3768 cm3
Polarizability 17.785963 Å3 Polar Surface Area 29.85 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
0.463 expand Show data source
Purity
95% 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