Home > Compound List > Compound details
165744-14-9 molecular structure
click picture or here to close

ethyl 5-ethyl-1-methyl-1H-pyrazole-3-carboxylate

ChemBase ID: 812046
Molecular Formular: C9H14N2O2
Molecular Mass: 182.21966
Monoisotopic Mass: 182.1055277
SMILES and InChIs

SMILES:
n1(nc(cc1CC)C(=O)OCC)C
Canonical SMILES:
CCOC(=O)c1cc(n(n1)C)CC
InChI:
InChI=1S/C9H14N2O2/c1-4-7-6-8(10-11(7)3)9(12)13-5-2/h6H,4-5H2,1-3H3
InChIKey:
KSERUIWILZNIDW-UHFFFAOYSA-N

Cite this record

CBID:812046 http://www.chembase.cn/molecule-812046.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 5-ethyl-1-methyl-1H-pyrazole-3-carboxylate
IUPAC Traditional name
ethyl 5-ethyl-1-methylpyrazole-3-carboxylate
Synonyms
ETHYL 5-ETHYL-1-METHYL-1H-PYRAZOLE-3-CARBOXYLATE
CAS Number
165744-14-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O31756 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O31756 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) 1.669324  LogD (pH = 7.4) 1.6693249 
Log P 1.6693249  Molar Refractivity 61.037 cm3
Polarizability 18.801386 Å3 Polar Surface Area 44.12 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