Home > Compound List > Compound details
1134695-22-9 molecular structure
click picture or here to close

[1-(4-fluorophenyl)-1H-pyrazol-4-yl]methanamine

ChemBase ID: 306736
Molecular Formular: C10H10FN3
Molecular Mass: 191.2049032
Monoisotopic Mass: 191.08587556
SMILES and InChIs

SMILES:
n1(ncc(c1)CN)c1ccc(cc1)F
Canonical SMILES:
NCc1cnn(c1)c1ccc(cc1)F
InChI:
InChI=1S/C10H10FN3/c11-9-1-3-10(4-2-9)14-7-8(5-12)6-13-14/h1-4,6-7H,5,12H2
InChIKey:
TVCUTKMSLJTCCY-UHFFFAOYSA-N

Cite this record

CBID:306736 http://www.chembase.cn/molecule-306736.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[1-(4-fluorophenyl)-1H-pyrazol-4-yl]methanamine
IUPAC Traditional name
[1-(4-fluorophenyl)pyrazol-4-yl]methanamine
Synonyms
1-[1-(4-fluorophenyl)-1H-pyrazol-4-yl]methanamine
CAS Number
1134695-22-9
MDL Number
MFCD09055224

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 4003860 external link Add to cart
Data Source Data ID Price
ChemBridge
4003860 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.589559  LogD (pH = 7.4) -0.31118482 
Log P 1.3275347  Molar Refractivity 53.1095 cm3
Polarizability 20.416033 Å3 Polar Surface Area 43.84 Å2

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