Home > Compound List > Compound details
 molecular structure
click picture or here to close

N-(2-methoxyethyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)benzamide

ChemBase ID: 370938
Molecular Formular: C18H21N5O2
Molecular Mass: 339.39164
Monoisotopic Mass: 339.16952494
SMILES and InChIs

SMILES:
c1(cn(nc1)C)CN(C(=O)c1cc(c2c[nH]nc2)ccc1)CCOC
Canonical SMILES:
COCCN(C(=O)c1cccc(c1)c1c[nH]nc1)Cc1cnn(c1)C
InChI:
InChI=1S/C18H21N5O2/c1-22-12-14(9-21-22)13-23(6-7-25-2)18(24)16-5-3-4-15(8-16)17-10-19-20-11-17/h3-5,8-12H,6-7,13H2,1-2H3,(H,19,20)
InChIKey:
GSSWVURBWXKNRZ-UHFFFAOYSA-N

Cite this record

CBID:370938 http://www.chembase.cn/molecule-370938.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(2-methoxyethyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)benzamide
IUPAC Traditional name
N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)benzamide
Synonyms
N-(2-methoxyethyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)benzamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 18343103 external link Add to cart
Data Source Data ID Price
ChemBridge
18343103 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

供应商提供(Chembridge) JChem
H Acceptors H Donor
Log P 0.24  LOG S -3.19 
Polar Surface Area 76.04 Å2 Rotatable Bonds
H Donor LogD (pH = 5.5) 1.3278421 
LogD (pH = 7.4) 1.3280032  Log P 1.3280053 
Molar Refractivity 108.3129 cm3 Polarizability 37.13189 Å3
Polar Surface Area 76.04 Å2 Rotatable Bonds
Lipinski's Rule of Five true  Acid pKa 14.546946 
H Acceptors

PROPERTIES

PROPERTIES

Bioassay(PubChem)

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