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Home Aldehydes 1,3-Diphenyl-1h-pyrazole-4-carbaldehyde

1,3-Diphenyl-1h-pyrazole-4-carbaldehyde

CAS No.:
21487-45-6
Catalog Number:
AG003DKX
Molecular Formula:
C16H12N2O
Molecular Weight:
248.2793
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$64
- +
5g
95%
In Stock USA
United States
$125
- +
Product Description
Catalog Number:
AG003DKX
Chemical Name:
1,3-Diphenyl-1h-pyrazole-4-carbaldehyde
CAS Number:
21487-45-6
Molecular Formula:
C16H12N2O
Molecular Weight:
248.2793
MDL Number:
MFCD00525714
IUPAC Name:
1,3-diphenylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C16H12N2O/c19-12-14-11-18(15-9-5-2-6-10-15)17-16(14)13-7-3-1-4-8-13/h1-12H
InChI Key:
LZGBMIZREYTWRI-UHFFFAOYSA-N
SMILES:
O=Cc1cn(nc1c1ccccc1)c1ccccc1
Properties
Complexity:
295  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.095g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.285g/mol
Monoisotopic Mass:
248.095g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Literature
Title Journal
Cobalt, nickel, copper and zinc complexes with 1,3-diphenyl-1H-pyrazole-4-carboxaldehyde Schiff bases: antimicrobial, spectroscopic, thermal and fluorescence studies. European journal of medicinal chemistry 20120601
(E)-1-(2,4-Dichloro-phen-yl)-3-(1,3-diphenyl-1H-pyrazol-4-yl)prop-2-en-1-one. Acta crystallographica. Section E, Structure reports online 20111101
1,3-Diphenyl-1H-pyrazole-4-carbaldehyde. Acta crystallographica. Section E, Structure reports online 20101201
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties