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

N-(3-hydroxypropyl)-5-methyl-1-propyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide

ChemBase ID: 322491
Molecular Formular: C17H24N4O2
Molecular Mass: 316.39806
Monoisotopic Mass: 316.18992603
SMILES and InChIs

SMILES:
c1(C(=O)N(Cc2cnccc2)CCCO)c(n(nc1)CCC)C
Canonical SMILES:
OCCCN(C(=O)c1cnn(c1C)CCC)Cc1cccnc1
InChI:
InChI=1S/C17H24N4O2/c1-3-8-21-14(2)16(12-19-21)17(23)20(9-5-10-22)13-15-6-4-7-18-11-15/h4,6-7,11-12,22H,3,5,8-10,13H2,1-2H3
InChIKey:
JQTHYPXAEGHULW-UHFFFAOYSA-N

Cite this record

CBID:322491 http://www.chembase.cn/molecule-322491.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(3-hydroxypropyl)-5-methyl-1-propyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide
IUPAC Traditional name
N-(3-hydroxypropyl)-5-methyl-1-propyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
Synonyms
N-(3-hydroxypropyl)-5-methyl-1-propyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 11298147 external link Add to cart
Data Source Data ID Price
ChemBridge
11298147 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 15.932488  H Acceptors
H Donor LogD (pH = 5.5) 0.58234084 
LogD (pH = 7.4) 0.65363836  Log P 0.65464836 
Molar Refractivity 101.8689 cm3 Polarizability 33.869614 Å3
Polar Surface Area 71.25 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.2  LOG S -1.69 
Polar Surface Area 71.25 Å2 Rotatable Bonds

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