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824968-83-4

824968-83-4 | 1H-Pyrazolo[4,3-c]isoquinoline, 5-(5-isoxazolyl)-3-methyl-

CAS No: 824968-83-4 Catalog No: AG004ZFQ MDL No:

Product Description

Catalog Number:
AG004ZFQ
Chemical Name:
1H-Pyrazolo[4,3-c]isoquinoline, 5-(5-isoxazolyl)-3-methyl-
CAS Number:
824968-83-4
Molecular Formula:
C14H10N4O
Molecular Weight:
250.2554
IUPAC Name:
5-(3-methyl-2H-pyrazolo[4,3-c]isoquinolin-5-yl)-1,2-oxazole
InChI:
InChI=1S/C14H10N4O/c1-8-12-14(18-17-8)10-5-3-2-4-9(10)13(16-12)11-6-7-15-19-11/h2-7H,1H3,(H,17,18)
InChI Key:
KOWIKYUEVWBORC-UHFFFAOYSA-N
SMILES:
Cc1n[nH]c2c1nc(c1ccno1)c1c2cccc1

Properties

Complexity:
339  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.085g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
250.261g/mol
Monoisotopic Mass:
250.085g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

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