Home > Compound List > Compound details
115931-11-8 molecular structure
click picture or here to close

7-[3-(trifluoromethyl)phenyl]-4H,5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

ChemBase ID: 9575
Molecular Formular: C14H11F3N4O
Molecular Mass: 308.2585496
Monoisotopic Mass: 308.08849565
SMILES and InChIs

SMILES:
C1C=C(n2c(N1)c(cn2)C(=O)N)c1cccc(c1)C(F)(F)F
Canonical SMILES:
NC(=O)c1cnn2c1NCC=C2c1cccc(c1)C(F)(F)F
InChI:
InChI=1S/C14H11F3N4O/c15-14(16,17)9-3-1-2-8(6-9)11-4-5-19-13-10(12(18)22)7-20-21(11)13/h1-4,6-7,19H,5H2,(H2,18,22)
InChIKey:
KZFGNDBDCDFDSL-UHFFFAOYSA-N

Cite this record

CBID:9575 http://www.chembase.cn/molecule-9575.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-[3-(trifluoromethyl)phenyl]-4H,5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
IUPAC Traditional name
7-[3-(trifluoromethyl)phenyl]-4H,5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
Synonyms
4,5-Dihydro-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide 97%
4,5-Dihydro-7-[3-(trifluoromethyl)phenyl]-pyrazolo-[1,5-a]pyrimidine-3-carboxamide
CAS Number
115931-11-8
MDL Number
MFCD00276603
PubChem SID
160972882
PubChem CID
5702863

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 5702863 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.209065  H Acceptors
H Donor LogD (pH = 5.5) 1.9106419 
LogD (pH = 7.4) 1.9107825  Log P 1.9107836 
Molar Refractivity 88.0228 cm3 Polarizability 26.52132 Å3
Polar Surface Area 72.94 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Irritant expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false 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