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155299-83-5 | 5,5'-dimethyl-2-phenyl-2'-(4-phenyl-1,3-thiazol-2-yl)-2H,2'H-[3,4'-bipyrazole]-3'-ol
CAS No: 155299-83-5 Catalog No: AG00ION2 MDL No:MFCD00141210
Product Description
Catalog Number:
AG00ION2
Chemical Name:
5,5'-dimethyl-2-phenyl-2'-(4-phenyl-1,3-thiazol-2-yl)-2H,2'H-[3,4'-bipyrazole]-3'-ol
CAS Number:
155299-83-5
Molecular Formula:
C23H19N5OS
Molecular Weight:
413.4949
MDL Number:
MFCD00141210
IUPAC Name:
5-methyl-4-(5-methyl-2-phenylpyrazol-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one
InChI:
InChI=1S/C23H19N5OS/c1-15-13-20(27(25-15)18-11-7-4-8-12-18)21-16(2)26-28(22(21)29)23-24-19(14-30-23)17-9-5-3-6-10-17/h3-14,26H,1-2H3
InChI Key:
VHOKMLUNAQDQKA-UHFFFAOYSA-N
SMILES:
Cc1cc(n(n1)c1ccccc1)c1c(C)nn(c1O)c1scc(n1)c1ccccc1
Properties
Complexity:
673
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
413.131g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
413.499g/mol
Monoisotopic Mass:
413.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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