2-benzyl-4-[[3-[2-(2,6-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-1H-pyrazol-3-one;2-butyl-4-[[3-[2-(2,5-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-1H-pyrazol-3-one;4-[[3-[2-(2,5-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-2-propyl-1H-pyrazol-3-one;4-[[3-[2-(2,6-dimethylphenyl)ethynyl]-2-hydroxyphenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[[2-hydroxy-3-[(E)-2-(2-methylphenyl)ethenyl]phenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[[2-hydroxy-3-[2-(2-methylphenyl)ethyl]phenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[(1-hydroxynaphthalen-2-yl)diazenyl]-5-methyl-2-(4-methylphenyl)-1H-pyrazol-3-one

C168H190N28O14 — CID 158420960

IUPAC2-benzyl-4-[[3-[2-(2,6-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-1H-pyrazol-3-one;2-butyl-4-[[3-[2-(2,5-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-1H-pyrazol-3-one;4-[[3-[2-(2,5-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-2-propyl-1H-pyrazol-3-one;4-[[3-[2-(2,6-dimethylphenyl)ethynyl]-2-hydroxyphenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[[2-hydroxy-3-[(E)-2-(2-methylphenyl)ethenyl]phenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[[2-hydroxy-3-[2-(2-methylphenyl)ethyl]phenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[(1-hydroxynaphthalen-2-yl)diazenyl]-5-methyl-2-(4-methylphenyl)-1H-pyrazol-3-one
SMILESCCCCCn1[nH]c(C)c(/N=N/c2cccc(/C=C/c3ccccc3C)c2O)c1=O.CCCCCn1[nH]c(C)c(/N=N/c2cccc(C#Cc3c(C)cccc3C)c2O)c1=O.CCCCCn1[nH]c(C)c(/N=N/c2cccc(CCc3ccccc3C)c2O)c1=O.CCCCn1[nH]c(C)c(/N=N/c2cccc(CCc3cc(C)ccc3C)c2O)c1=O.CCCn1[nH]c(C)c(/N=N/c2cccc(CCc3cc(C)ccc3C)c2O)c1=O.Cc1ccc(-n2[nH]c(C)c(/N=N/c3ccc4ccccc4c3O)c2=O)cc1.Cc1cccc(C)c1CCc1cccc(/N=N/c2c(C)[nH]n(Cc3ccccc3)c2=O)c1O
InChIInChI=1S/C27H28N4O2.C25H28N4O2.2C24H30N4O2.C24H28N4O2.C23H28N4O2.C21H18N4O2/c1-18-9-7-10-19(2)23(18)16-15-22-13-8-14-24(26(22)32)28-29-25-20(3)30-31(27(25)33)17-21-11-5-4-6-12-21;1-5-6-7-16-29-25(31)23(19(4)28-29)27-26-22-13-9-12-20(24(22)30)14-15-21-17(2)10-8-11-18(21)3;1-5-6-14-28-24(30)22(18(4)27-28)26-25-21-9-7-8-19(23(21)29)12-13-20-15-16(2)10-11-17(20)3;2*1-4-5-8-16-28-24(30)22(18(3)27-28)26-25-21-13-9-12-20(23(21)29)15-14-19-11-7-6-10-17(19)2;1-5-13-27-23(29)21(17(4)26-27)25-24-20-8-6-7-18(22(20)28)11-12-19-14-15(2)9-10-16(19)3;1-13-7-10-16(11-8-13)25-21(27)19(14(2)24-25)23-22-18-12-9-15-5-3-4-6-17(15)20(18)26/h4-14,30,32H,15-17H2,1-3H3;8-13,28,30H,5-7,16H2,1-4H3;7-11,15,27,29H,5-6,12-14H2,1-4H3;6-7,9-13,27,29H,4-5,8,14-16H2,1-3H3;6-7,9-15,27,29H,4-5,8,16H2,1-3H3;6-10,14,26,28H,5,11-13H2,1-4H3;3-12,24,26H,1-2H3/b29-28+;27-26+;2*26-25+;15-14+,26-25+;25-24+;23-22+
InChIKeyQSSSZLHZEJHEBX-DYWIEARISA-N
MW2825.55 g/mol
LogP40.32
Rot. Bonds48

About 2-benzyl-4-[[3-[2-(2,6-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-1H-pyrazol-3-one;2-butyl-4-[[3-[2-(2,5-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-1H-pyrazol-3-one;4-[[3-[2-(2,5-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-2-propyl-1H-pyrazol-3-one;4-[[3-[2-(2,6-dimethylphenyl)ethynyl]-2-hydroxyphenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[[2-hydroxy-3-[(E)-2-(2-methylphenyl)ethenyl]phenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[[2-hydroxy-3-[2-(2-methylphenyl)ethyl]phenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[(1-hydroxynaphthalen-2-yl)diazenyl]-5-methyl-2-(4-methylphenyl)-1H-pyrazol-3-one

2-benzyl-4-[[3-[2-(2,6-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-1H-pyrazol-3-one;2-butyl-4-[[3-[2-(2,5-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-1H-pyrazol-3-one;4-[[3-[2-(2,5-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-2-propyl-1H-pyrazol-3-one;4-[[3-[2-(2,6-dimethylphenyl)ethynyl]-2-hydroxyphenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[[2-hydroxy-3-[(E)-2-(2-methylphenyl)ethenyl]phenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[[2-hydroxy-3-[2-(2-methylphenyl)ethyl]phenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[(1-hydroxynaphthalen-2-yl)diazenyl]-5-methyl-2-(4-methylphenyl)-1H-pyrazol-3-one (PubChem CID 158420960) has the molecular formula C168H190N28O14 and a molecular weight of 2825.55 g/mol. Its IUPAC name is 2-benzyl-4-[[3-[2-(2,6-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-1H-pyrazol-3-one;2-butyl-4-[[3-[2-(2,5-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-1H-pyrazol-3-one;4-[[3-[2-(2,5-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-2-propyl-1H-pyrazol-3-one;4-[[3-[2-(2,6-dimethylphenyl)ethynyl]-2-hydroxyphenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[[2-hydroxy-3-[(E)-2-(2-methylphenyl)ethenyl]phenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[[2-hydroxy-3-[2-(2-methylphenyl)ethyl]phenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[(1-hydroxynaphthalen-2-yl)diazenyl]-5-methyl-2-(4-methylphenyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-benzyl-4-[[3-[2-(2,6-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-1H-pyrazol-3-one;2-butyl-4-[[3-[2-(2,5-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-1H-pyrazol-3-one;4-[[3-[2-(2,5-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-2-propyl-1H-pyrazol-3-one;4-[[3-[2-(2,6-dimethylphenyl)ethynyl]-2-hydroxyphenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[[2-hydroxy-3-[(E)-2-(2-methylphenyl)ethenyl]phenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[[2-hydroxy-3-[2-(2-methylphenyl)ethyl]phenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[(1-hydroxynaphthalen-2-yl)diazenyl]-5-methyl-2-(4-methylphenyl)-1H-pyrazol-3-one
PubChem CID158420960
Molecular FormulaC168H190N28O14
Molecular Weight2825.55 g/mol
Exact Mass2823.50
IUPAC Name2-benzyl-4-[[3-[2-(2,6-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-1H-pyrazol-3-one;2-butyl-4-[[3-[2-(2,5-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-1H-pyrazol-3-one;4-[[3-[2-(2,5-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-2-propyl-1H-pyrazol-3-one;4-[[3-[2-(2,6-dimethylphenyl)ethynyl]-2-hydroxyphenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[[2-hydroxy-3-[(E)-2-(2-methylphenyl)ethenyl]phenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[[2-hydroxy-3-[2-(2-methylphenyl)ethyl]phenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[(1-hydroxynaphthalen-2-yl)diazenyl]-5-methyl-2-(4-methylphenyl)-1H-pyrazol-3-one
SMILESCCCCCn1[nH]c(C)c(/N=N/c2cccc(/C=C/c3ccccc3C)c2O)c1=O.CCCCCn1[nH]c(C)c(/N=N/c2cccc(C#Cc3c(C)cccc3C)c2O)c1=O.CCCCCn1[nH]c(C)c(/N=N/c2cccc(CCc3ccccc3C)c2O)c1=O.CCCCn1[nH]c(C)c(/N=N/c2cccc(CCc3cc(C)ccc3C)c2O)c1=O.CCCn1[nH]c(C)c(/N=N/c2cccc(CCc3cc(C)ccc3C)c2O)c1=O.Cc1ccc(-n2[nH]c(C)c(/N=N/c3ccc4ccccc4c3O)c2=O)cc1.Cc1cccc(C)c1CCc1cccc(/N=N/c2c(C)[nH]n(Cc3ccccc3)c2=O)c1O
InChIInChI=1S/C27H28N4O2.C25H28N4O2.2C24H30N4O2.C24H28N4O2.C23H28N4O2.C21H18N4O2/c1-18-9-7-10-19(2)23(18)16-15-22-13-8-14-24(26(22)32)28-29-25-20(3)30-31(27(25)33)17-21-11-5-4-6-12-21;1-5-6-7-16-29-25(31)23(19(4)28-29)27-26-22-13-9-12-20(24(22)30)14-15-21-17(2)10-8-11-18(21)3;1-5-6-14-28-24(30)22(18(4)27-28)26-25-21-9-7-8-19(23(21)29)12-13-20-15-16(2)10-11-17(20)3;2*1-4-5-8-16-28-24(30)22(18(3)27-28)26-25-21-13-9-12-20(23(21)29)15-14-19-11-7-6-10-17(19)2;1-5-13-27-23(29)21(17(4)26-27)25-24-20-8-6-7-18(22(20)28)11-12-19-14-15(2)9-10-16(19)3;1-13-7-10-16(11-8-13)25-21(27)19(14(2)24-25)23-22-18-12-9-15-5-3-4-6-17(15)20(18)26/h4-14,30,32H,15-17H2,1-3H3;8-13,28,30H,5-7,16H2,1-4H3;7-11,15,27,29H,5-6,12-14H2,1-4H3;6-7,9-13,27,29H,4-5,8,14-16H2,1-3H3;6-7,9-15,27,29H,4-5,8,16H2,1-3H3;6-10,14,26,28H,5,11-13H2,1-4H3;3-12,24,26H,1-2H3/b29-28+;27-26+;2*26-25+;15-14+,26-25+;25-24+;23-22+
InChIKeyQSSSZLHZEJHEBX-DYWIEARISA-N
XLogP40.32
TPSA579.18 Ų
H-Bond Donors14
H-Bond Acceptors35
Rotatable Bonds48
Heavy Atoms210
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002825.55
LogP ≤ 540.32
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-benzyl-4-[[3-[2-(2,6-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-1H-pyrazol-3-one;2-butyl-4-[[3-[2-(2,5-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-1H-pyrazol-3-one;4-[[3-[2-(2,5-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-2-propyl-1H-pyrazol-3-one;4-[[3-[2-(2,6-dimethylphenyl)ethynyl]-2-hydroxyphenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[[2-hydroxy-3-[(E)-2-(2-methylphenyl)ethenyl]phenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[[2-hydroxy-3-[2-(2-methylphenyl)ethyl]phenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[(1-hydroxynaphthalen-2-yl)diazenyl]-5-methyl-2-(4-methylphenyl)-1H-pyrazol-3-one with MolForge

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Related Compounds

(4Z)-2-benzyl-4-[[3-[2-(2,6-dimethylphenyl)ethyl]-2-hydroxyphenyl]hydrazinylidene]-5-methyl-2H-pyrrol-3-one;2-butyl-4-[[3-[2-(2,5-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-1H-pyrazol-3-one;2-butyl-4-[[3-[2-(2,6-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-1H-pyrazol-3-one;bis(4-[[3-[2-(2,5-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-2-propyl-1H-pyrazol-3-one);4-[[3-[2-(2,6-dimethylphenyl)ethynyl]-2-hydroxyphenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[[2-hydroxy-3-[(E)-2-(2-methylphenyl)ethenyl]phenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[[2-hydroxy-3-[2-(2-methylphenyl)ethyl]phenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one
CID 172961408
2-benzyl-4-[[3-[2-(2,6-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-1H-pyrazol-3-one;1-(3,5-dimethylphenyl)-3-[[2-hydroxy-3-(hydroxymethyl)phenyl]diazenyl]-6-methylindol-2-ol;1-(3,5-dimethylphenyl)-3-[[2-hydroxy-4-(hydroxymethyl)phenyl]diazenyl]-6-methylindol-2-ol;2-(4-ethylphenyl)-4-[(1-hydroxynaphthalen-2-yl)diazenyl]-5-methyl-1H-pyrazol-3-one;4-[(1-hydroxynaphthalen-2-yl)diazenyl]-5-methyl-2-(4-methylphenyl)-1H-pyrazol-3-one
CID 159127265
4-[[2-hydroxy-3-[(Z)-2-(4-methylphenyl)ethenyl]phenyl]diazenyl]-5-methyl-2-(4-oxohex-5-enyl)-1H-pyrazol-3-one
CID 136595960
4-[[3-[2-[2-(aminomethyl)phenyl]ethyl]-2-hydroxyphenyl]diazenyl]-2-(4-hydroxybutyl)-5-methyl-1H-pyrazol-3-one
CID 175285402
2-[[5-methyl-2-(4-methylphenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]benzonitrile
CID 948391
4-[[3-[2-(2,6-dimethylcyclohexa-1,5-dien-1-yl)ethynyl]-2-hydroxyphenyl]diazenyl]-2-(4-hydroxybutyl)-5-methyl-1H-pyrazol-3-one
CID 136503899
1-butyl-3-[[2-hydroxy-3-[2-(2-methylphenyl)ethyl]phenyl]diazenyl]indol-2-ol
CID 136596075
3-[4-[[3-[(E)-2-(2-fluoro-6-methylphenyl)ethenyl]-2-hydroxyphenyl]diazenyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzaldehyde
CID 136596099
4-[4-[[3-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]butanoic acid
CID 136596100
4-[2-hydroxy-3-[[2-hydroxy-3-[2-(2-methylphenyl)ethyl]phenyl]diazenyl]indol-1-yl]butanoic acid
CID 135796772
4-[4-[[3-[2-(2-cyanophenyl)ethyl]-2-hydroxyphenyl]iminomethyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]butanoic acid
CID 136596059
[4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]phenyl] pentanoate
CID 135597731

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-[[3-[2-(2,6-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-1H-pyrazol-3-one;2-butyl-4-[[3-[2-(2,5-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-1H-pyrazol-3-one;4-[[3-[2-(2,5-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-2-propyl-1H-pyrazol-3-one;4-[[3-[2-(2,6-dimethylphenyl)ethynyl]-2-hydroxyphenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[[2-hydroxy-3-[(E)-2-(2-methylphenyl)ethenyl]phenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[[2-hydroxy-3-[2-(2-methylphenyl)ethyl]phenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[(1-hydroxynaphthalen-2-yl)diazenyl]-5-methyl-2-(4-methylphenyl)-1H-pyrazol-3-one?
The IUPAC name of 2-benzyl-4-[[3-[2-(2,6-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-1H-pyrazol-3-one;2-butyl-4-[[3-[2-(2,5-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-1H-pyrazol-3-one;4-[[3-[2-(2,5-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-2-propyl-1H-pyrazol-3-one;4-[[3-[2-(2,6-dimethylphenyl)ethynyl]-2-hydroxyphenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[[2-hydroxy-3-[(E)-2-(2-methylphenyl)ethenyl]phenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[[2-hydroxy-3-[2-(2-methylphenyl)ethyl]phenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[(1-hydroxynaphthalen-2-yl)diazenyl]-5-methyl-2-(4-methylphenyl)-1H-pyrazol-3-one (CID 158420960) is 2-benzyl-4-[[3-[2-(2,6-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-1H-pyrazol-3-one;2-butyl-4-[[3-[2-(2,5-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-1H-pyrazol-3-one;4-[[3-[2-(2,5-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-2-propyl-1H-pyrazol-3-one;4-[[3-[2-(2,6-dimethylphenyl)ethynyl]-2-hydroxyphenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[[2-hydroxy-3-[(E)-2-(2-methylphenyl)ethenyl]phenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[[2-hydroxy-3-[2-(2-methylphenyl)ethyl]phenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[(1-hydroxynaphthalen-2-yl)diazenyl]-5-methyl-2-(4-methylphenyl)-1H-pyrazol-3-one.
What is the SMILES notation for 2-benzyl-4-[[3-[2-(2,6-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-1H-pyrazol-3-one;2-butyl-4-[[3-[2-(2,5-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-1H-pyrazol-3-one;4-[[3-[2-(2,5-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-2-propyl-1H-pyrazol-3-one;4-[[3-[2-(2,6-dimethylphenyl)ethynyl]-2-hydroxyphenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[[2-hydroxy-3-[(E)-2-(2-methylphenyl)ethenyl]phenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[[2-hydroxy-3-[2-(2-methylphenyl)ethyl]phenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[(1-hydroxynaphthalen-2-yl)diazenyl]-5-methyl-2-(4-methylphenyl)-1H-pyrazol-3-one?
The canonical SMILES for 2-benzyl-4-[[3-[2-(2,6-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-1H-pyrazol-3-one;2-butyl-4-[[3-[2-(2,5-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-1H-pyrazol-3-one;4-[[3-[2-(2,5-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-2-propyl-1H-pyrazol-3-one;4-[[3-[2-(2,6-dimethylphenyl)ethynyl]-2-hydroxyphenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[[2-hydroxy-3-[(E)-2-(2-methylphenyl)ethenyl]phenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[[2-hydroxy-3-[2-(2-methylphenyl)ethyl]phenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[(1-hydroxynaphthalen-2-yl)diazenyl]-5-methyl-2-(4-methylphenyl)-1H-pyrazol-3-one is CCCCCn1[nH]c(C)c(/N=N/c2cccc(/C=C/c3ccccc3C)c2O)c1=O.CCCCCn1[nH]c(C)c(/N=N/c2cccc(C#Cc3c(C)cccc3C)c2O)c1=O.CCCCCn1[nH]c(C)c(/N=N/c2cccc(CCc3ccccc3C)c2O)c1=O.CCCCn1[nH]c(C)c(/N=N/c2cccc(CCc3cc(C)ccc3C)c2O)c1=O.CCCn1[nH]c(C)c(/N=N/c2cccc(CCc3cc(C)ccc3C)c2O)c1=O.Cc1ccc(-n2[nH]c(C)c(/N=N/c3ccc4ccccc4c3O)c2=O)cc1.Cc1cccc(C)c1CCc1cccc(/N=N/c2c(C)[nH]n(Cc3ccccc3)c2=O)c1O.
What is the InChIKey of 2-benzyl-4-[[3-[2-(2,6-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-1H-pyrazol-3-one;2-butyl-4-[[3-[2-(2,5-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-1H-pyrazol-3-one;4-[[3-[2-(2,5-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-2-propyl-1H-pyrazol-3-one;4-[[3-[2-(2,6-dimethylphenyl)ethynyl]-2-hydroxyphenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[[2-hydroxy-3-[(E)-2-(2-methylphenyl)ethenyl]phenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[[2-hydroxy-3-[2-(2-methylphenyl)ethyl]phenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[(1-hydroxynaphthalen-2-yl)diazenyl]-5-methyl-2-(4-methylphenyl)-1H-pyrazol-3-one?
The InChIKey is QSSSZLHZEJHEBX-DYWIEARISA-N. The full InChI is InChI=1S/C27H28N4O2.C25H28N4O2.2C24H30N4O2.C24H28N4O2.C23H28N4O2.C21H18N4O2/c1-18-9-7-10-19(2)23(18)16-15-22-13-8-14-24(26(22)32)28-29-25-20(3)30-31(27(25)33)17-21-11-5-4-6-12-21;1-5-6-7-16-29-25(31)23(19(4)28-29)27-26-22-13-9-12-20(24(22)30)14-15-21-17(2)10-8-11-18(21)3;1-5-6-14-28-24(30)22(18(4)27-28)26-25-21-9-7-8-19(23(21)29)12-13-20-15-16(2)10-11-17(20)3;2*1-4-5-8-16-28-24(30)22(18(3)27-28)26-25-21-13-9-12-20(23(21)29)15-14-19-11-7-6-10-17(19)2;1-5-13-27-23(29)21(17(4)26-27)25-24-20-8-6-7-18(22(20)28)11-12-19-14-15(2)9-10-16(19)3;1-13-7-10-16(11-8-13)25-21(27)19(14(2)24-25)23-22-18-12-9-15-5-3-4-6-17(15)20(18)26/h4-14,30,32H,15-17H2,1-3H3;8-13,28,30H,5-7,16H2,1-4H3;7-11,15,27,29H,5-6,12-14H2,1-4H3;6-7,9-13,27,29H,4-5,8,14-16H2,1-3H3;6-7,9-15,27,29H,4-5,8,16H2,1-3H3;6-10,14,26,28H,5,11-13H2,1-4H3;3-12,24,26H,1-2H3/b29-28+;27-26+;2*26-25+;15-14+,26-25+;25-24+;23-22+.
What are the key properties of 2-benzyl-4-[[3-[2-(2,6-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-1H-pyrazol-3-one;2-butyl-4-[[3-[2-(2,5-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-1H-pyrazol-3-one;4-[[3-[2-(2,5-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-2-propyl-1H-pyrazol-3-one;4-[[3-[2-(2,6-dimethylphenyl)ethynyl]-2-hydroxyphenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[[2-hydroxy-3-[(E)-2-(2-methylphenyl)ethenyl]phenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[[2-hydroxy-3-[2-(2-methylphenyl)ethyl]phenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[(1-hydroxynaphthalen-2-yl)diazenyl]-5-methyl-2-(4-methylphenyl)-1H-pyrazol-3-one?
2-benzyl-4-[[3-[2-(2,6-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-1H-pyrazol-3-one;2-butyl-4-[[3-[2-(2,5-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-1H-pyrazol-3-one;4-[[3-[2-(2,5-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-2-propyl-1H-pyrazol-3-one;4-[[3-[2-(2,6-dimethylphenyl)ethynyl]-2-hydroxyphenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[[2-hydroxy-3-[(E)-2-(2-methylphenyl)ethenyl]phenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[[2-hydroxy-3-[2-(2-methylphenyl)ethyl]phenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[(1-hydroxynaphthalen-2-yl)diazenyl]-5-methyl-2-(4-methylphenyl)-1H-pyrazol-3-one has a molecular weight of 2825.55 g/mol, XLogP of 40.32, 48 rotatable bonds, 14 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-[[3-[2-(2,6-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-1H-pyrazol-3-one;2-butyl-4-[[3-[2-(2,5-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-1H-pyrazol-3-one;4-[[3-[2-(2,5-dimethylphenyl)ethyl]-2-hydroxyphenyl]diazenyl]-5-methyl-2-propyl-1H-pyrazol-3-one;4-[[3-[2-(2,6-dimethylphenyl)ethynyl]-2-hydroxyphenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[[2-hydroxy-3-[(E)-2-(2-methylphenyl)ethenyl]phenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[[2-hydroxy-3-[2-(2-methylphenyl)ethyl]phenyl]diazenyl]-5-methyl-2-pentyl-1H-pyrazol-3-one;4-[(1-hydroxynaphthalen-2-yl)diazenyl]-5-methyl-2-(4-methylphenyl)-1H-pyrazol-3-one is sourced from PubChem (CID 158420960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).