Home > Compound List > Compound details
83725-05-7 molecular structure
click picture or here to close

N-(5-methyl-1H-pyrazol-3-yl)acetamide

ChemBase ID: 289940
Molecular Formular: C6H9N3O
Molecular Mass: 139.15516
Monoisotopic Mass: 139.07456192
SMILES and InChIs

SMILES:
CC(=O)Nc1n[nH]c(C)c1
Canonical SMILES:
CC(=O)Nc1n[nH]c(c1)C
InChI:
InChI=1S/C6H9N3O/c1-4-3-6(9-8-4)7-5(2)10/h3H,1-2H3,(H2,7,8,9,10)
InChIKey:
LUFRABHJXNJTNZ-UHFFFAOYSA-N

Cite this record

CBID:289940 http://www.chembase.cn/molecule-289940.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(5-methyl-1H-pyrazol-3-yl)acetamide
IUPAC Traditional name
N-(5-methyl-1H-pyrazol-3-yl)acetamide
Synonyms
N-(5-Methyl-1H-pyrazol-3-yl)acetamide
CAS Number
83725-05-7
PubChem SID
180675471
PubChem CID
5246311

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD226886 Please log in.
Data Source Data ID
PubChem 5246311 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.690867  H Acceptors
H Donor LogD (pH = 5.5) 0.30909988 
LogD (pH = 7.4) 0.30913717  Log P 0.30915904 
Molar Refractivity 40.0716 cm3 Polarizability 13.815245 Å3
Polar Surface Area 57.78 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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