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124009-63-8 | 3H-Pyrazol-3-one, 2,4-dihydro-4,4-bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-5-methyl-2-phenyl-
CAS No: 124009-63-8 Catalog No: AG000LEP MDL No:
Product Description
Catalog Number:
AG000LEP
Chemical Name:
3H-Pyrazol-3-one, 2,4-dihydro-4,4-bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-5-methyl-2-phenyl-
CAS Number:
124009-63-8
Molecular Formula:
C30H26N6O3
Molecular Weight:
518.5658
IUPAC Name:
5-methyl-4,4-bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-2-phenylpyrazol-3-one
InChI:
InChI=1S/C30H26N6O3/c1-19-25(27(37)34(31-19)22-13-7-4-8-14-22)30(21(3)33-36(29(30)39)24-17-11-6-12-18-24)26-20(2)32-35(28(26)38)23-15-9-5-10-16-23/h4-18,31-32H,1-3H3
InChI Key:
BYDYOXAYRKBBID-UHFFFAOYSA-N
SMILES:
CC1=NN(C(=O)C1(c1c(C)nn(c1O)c1ccccc1)c1c(C)nn(c1O)c1ccccc1)c1ccccc1
Properties
Complexity:
1080
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
518.207g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
518.577g/mol
Monoisotopic Mass:
518.207g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
97.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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