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Home Other Building Blocks N'-[(2-hydroxynaphthalen-1-yl)methylidene]-3-(naphthalen-2-yl)-1H-pyrazole-5-carbohydrazide

N'-[(2-hydroxynaphthalen-1-yl)methylidene]-3-(naphthalen-2-yl)-1H-pyrazole-5-carbohydrazide

CAS No.:
1310363-55-3
Catalog Number:
AG01C40L
Molecular Formula:
C25H18N4O2
Molecular Weight:
406.4360
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Product Description
Catalog Number:
AG01C40L
Chemical Name:
N'-[(2-hydroxynaphthalen-1-yl)methylidene]-3-(naphthalen-2-yl)-1H-pyrazole-5-carbohydrazide
CAS Number:
1310363-55-3
Molecular Formula:
C25H18N4O2
Molecular Weight:
406.4360
MDL Number:
MFCD01654927
IUPAC Name:
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide
InChI:
InChI=1S/C25H18N4O2/c30-24-12-11-17-6-3-4-8-20(17)21(24)15-26-29-25(31)23-14-22(27-28-23)19-10-9-16-5-1-2-7-18(16)13-19/h1-15,30H,(H,27,28)(H,29,31)
InChI Key:
XOXCTLAKMCIWCF-UHFFFAOYSA-N
SMILES:
O=C(c1[nH]nc(c1)c1ccc2c(c1)cccc2)NN=Cc1c(O)ccc2c1cccc2
Properties
Complexity:
655  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
406.143g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
406.445g/mol
Monoisotopic Mass:
406.143g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
90.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
5.3  
Literature
Title Journal
Autophagosomal membrane serves as platform for intracellular death-inducing signaling complex (iDISC)-mediated caspase-8 activation and apoptosis. The Journal of biological chemistry 20120406
Development of a sphingosine kinase 1 specific small-molecule inhibitor. Bioorganic & medicinal chemistry letters 20101215
Properties