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

N-{[4-(3-methylpiperidin-1-yl)phenyl]methyl}-3-(pyridin-4-yl)-1H-pyrazole-5-carboxamide

ChemBase ID: 510161
Molecular Formular: C22H25N5O
Molecular Mass: 375.4668
Monoisotopic Mass: 375.20591045
SMILES and InChIs

SMILES:
c1(cc(n[nH]1)c1ccncc1)C(=O)NCc1ccc(N2CC(CCC2)C)cc1
Canonical SMILES:
CC1CCCN(C1)c1ccc(cc1)CNC(=O)c1[nH]nc(c1)c1ccncc1
InChI:
InChI=1S/C22H25N5O/c1-16-3-2-12-27(15-16)19-6-4-17(5-7-19)14-24-22(28)21-13-20(25-26-21)18-8-10-23-11-9-18/h4-11,13,16H,2-3,12,14-15H2,1H3,(H,24,28)(H,25,26)
InChIKey:
NEWXGOVAJWLDEM-UHFFFAOYSA-N

Cite this record

CBID:510161 http://www.chembase.cn/molecule-510161.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-{[4-(3-methylpiperidin-1-yl)phenyl]methyl}-3-(pyridin-4-yl)-1H-pyrazole-5-carboxamide
IUPAC Traditional name
N-{[4-(3-methylpiperidin-1-yl)phenyl]methyl}-5-(pyridin-4-yl)-2H-pyrazole-3-carboxamide
Synonyms
N-[4-(3-methylpiperidin-1-yl)benzyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 40482171 external link Add to cart
Data Source Data ID Price
ChemBridge
40482171 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 9.334598  H Acceptors
H Donor LogD (pH = 5.5) 2.7963994 
LogD (pH = 7.4) 3.123824  Log P 3.1350064 
Molar Refractivity 111.8601 cm3 Polarizability 42.93492 Å3
Polar Surface Area 73.91 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.29  LOG S -3.89 
Polar Surface Area 73.91 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