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Home Aldehydes 1-benzyl-3-(pyridin-3-yl)-1H-pyrazole-4-carbaldehyde

1-benzyl-3-(pyridin-3-yl)-1H-pyrazole-4-carbaldehyde

CAS No.:
956504-56-6
Catalog Number:
AG019OZW
Molecular Formula:
C16H13N3O
Molecular Weight:
263.2939
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Product Description
Catalog Number:
AG019OZW
Chemical Name:
1-benzyl-3-(pyridin-3-yl)-1H-pyrazole-4-carbaldehyde
CAS Number:
956504-56-6
Molecular Formula:
C16H13N3O
Molecular Weight:
263.2939
MDL Number:
MFCD06356450
IUPAC Name:
1-benzyl-3-pyridin-3-ylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C16H13N3O/c20-12-15-11-19(10-13-5-2-1-3-6-13)18-16(15)14-7-4-8-17-9-14/h1-9,11-12H,10H2
InChI Key:
WLALNLLKMJDSEF-UHFFFAOYSA-N
SMILES:
O=Cc1cn(nc1c1cccnc1)Cc1ccccc1
Properties
Complexity:
317  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.106g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.3g/mol
Monoisotopic Mass:
263.106g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
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