Home > Compound List > Compound details
4314-14-1 molecular structure
click picture or here to close

5-methyl-2-phenyl-4-(2-phenyldiazen-1-yl)-2,3-dihydro-1H-pyrazol-3-one

ChemBase ID: 129645
Molecular Formular: C16H14N4O
Molecular Mass: 278.30856
Monoisotopic Mass: 278.11676109
SMILES and InChIs

SMILES:
Cc1[nH]n(c2ccccc2)c(=O)c1/N=N/c1ccccc1
Canonical SMILES:
Cc1[nH]n(c(=O)c1/N=N/c1ccccc1)c1ccccc1
InChI:
InChI=1S/C16H14N4O/c1-12-15(18-17-13-8-4-2-5-9-13)16(21)20(19-12)14-10-6-3-7-11-14/h2-11,19H,1H3
InChIKey:
XOCUHWXGSSSCTJ-UHFFFAOYSA-N

Cite this record

CBID:129645 http://www.chembase.cn/molecule-129645.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-methyl-2-phenyl-4-(2-phenyldiazen-1-yl)-2,3-dihydro-1H-pyrazol-3-one
IUPAC Traditional name
5-methyl-2-phenyl-4-(2-phenyldiazen-1-yl)-1H-pyrazol-3-one
Synonyms
Solvent Yellow 16
C.I. disperse yellow
C.I. 12700
4-phenylazo-1-phenyl-3-methyl-5-pyrazolone
2,4-dihydro-5-methyl-2-phenyl-4-(phenylazo)-3H-pyrazol-3-one
Sudan Yellow 3G
CAS Number
4314-14-1
PubChem SID
162223934
PubChem CID
5395801
Chemspider ID
14850402
Wikipedia Title
Sudan_Yellow_3G

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 6.129461  H Acceptors
H Donor LogD (pH = 5.5) 3.2200856 
LogD (pH = 7.4) 2.3370376  Log P 3.3056228 
Molar Refractivity 94.4263 cm3 Polarizability 30.31406 Å3
Polar Surface Area 57.06 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

Wikipedia Wikipedia

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