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Home Aldehydes 1-benzyl-3-(3,4-dimethylphenyl)-1H-pyrazole-4-carbaldehyde

1-benzyl-3-(3,4-dimethylphenyl)-1H-pyrazole-4-carbaldehyde

CAS No.:
956360-88-6
Catalog Number:
AG019NT3
Molecular Formula:
C19H18N2O
Molecular Weight:
290.3590
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Product Description
Catalog Number:
AG019NT3
Chemical Name:
1-benzyl-3-(3,4-dimethylphenyl)-1H-pyrazole-4-carbaldehyde
CAS Number:
956360-88-6
Molecular Formula:
C19H18N2O
Molecular Weight:
290.3590
MDL Number:
MFCD06373494
IUPAC Name:
1-benzyl-3-(3,4-dimethylphenyl)pyrazole-4-carbaldehyde
InChI:
InChI=1S/C19H18N2O/c1-14-8-9-17(10-15(14)2)19-18(13-22)12-21(20-19)11-16-6-4-3-5-7-16/h3-10,12-13H,11H2,1-2H3
InChI Key:
AJCJKOJVNWOCFK-UHFFFAOYSA-N
SMILES:
O=Cc1cn(nc1c1ccc(c(c1)C)C)Cc1ccccc1
Properties
Complexity:
366  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.142g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.366g/mol
Monoisotopic Mass:
290.142g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
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