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

N-[1-(pyrimidin-2-yl)piperidin-3-yl]-1H-pyrazole-4-carboxamide

ChemBase ID: 323250
Molecular Formular: C13H16N6O
Molecular Mass: 272.30574
Monoisotopic Mass: 272.13855916
SMILES and InChIs

SMILES:
c1(C(=O)NC2CN(c3ncccn3)CCC2)c[nH]nc1
Canonical SMILES:
O=C(c1c[nH]nc1)NC1CCCN(C1)c1ncccn1
InChI:
InChI=1S/C13H16N6O/c20-12(10-7-16-17-8-10)18-11-3-1-6-19(9-11)13-14-4-2-5-15-13/h2,4-5,7-8,11H,1,3,6,9H2,(H,16,17)(H,18,20)
InChIKey:
RAHKJJZMSRNTEX-UHFFFAOYSA-N

Cite this record

CBID:323250 http://www.chembase.cn/molecule-323250.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[1-(pyrimidin-2-yl)piperidin-3-yl]-1H-pyrazole-4-carboxamide
IUPAC Traditional name
N-[1-(pyrimidin-2-yl)piperidin-3-yl]-1H-pyrazole-4-carboxamide
Synonyms
N-(1-pyrimidin-2-ylpiperidin-3-yl)-1H-pyrazole-4-carboxamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 11405773 external link Add to cart
Data Source Data ID Price
ChemBridge
11405773 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 9.009921  H Acceptors
H Donor LogD (pH = 5.5) 0.48002815 
LogD (pH = 7.4) 0.47186944  Log P 0.4823511 
Molar Refractivity 76.0596 cm3 Polarizability 27.44412 Å3
Polar Surface Area 86.8 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.77  LOG S -1.84 
Polar Surface Area 86.8 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