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

C118H112N18O12 — CID 159127265

IUPAC2-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
SMILESCCc1ccc(-n2[nH]c(C)c(/N=N/c3ccc4ccccc4c3O)c2=O)cc1.Cc1cc(C)cc(-n2c(O)c(/N=N/c3ccc(CO)cc3O)c3ccc(C)cc32)c1.Cc1cc(C)cc(-n2c(O)c(/N=N/c3cccc(CO)c3O)c3ccc(C)cc32)c1.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/C27H28N4O2.2C24H23N3O3.C22H20N4O2.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;1-14-4-6-19-21(11-14)27(18-9-15(2)8-16(3)10-18)24(30)23(19)26-25-20-7-5-17(13-28)12-22(20)29;1-14-7-8-19-21(12-14)27(18-10-15(2)9-16(3)11-18)24(30)22(19)26-25-20-6-4-5-17(13-28)23(20)29;1-3-15-8-11-17(12-9-15)26-22(28)20(14(2)25-26)24-23-19-13-10-16-6-4-5-7-18(16)21(19)27;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;2*4-12,28-30H,13H2,1-3H3;4-13,25,27H,3H2,1-2H3;3-12,24,26H,1-2H3/b29-28+;2*26-25+;24-23+;23-22+
InChIKeyWXYRZQMKUNYNFQ-DPCIGAAFSA-N
MW1974.31 g/mol
LogP28.17
Rot. Bonds22

About 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

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 (PubChem CID 159127265) has the molecular formula C118H112N18O12 and a molecular weight of 1974.31 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID159127265
Molecular FormulaC118H112N18O12
Molecular Weight1974.31 g/mol
Exact Mass1972.87
IUPAC Name2-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
SMILESCCc1ccc(-n2[nH]c(C)c(/N=N/c3ccc4ccccc4c3O)c2=O)cc1.Cc1cc(C)cc(-n2c(O)c(/N=N/c3ccc(CO)cc3O)c3ccc(C)cc32)c1.Cc1cc(C)cc(-n2c(O)c(/N=N/c3cccc(CO)c3O)c3ccc(C)cc32)c1.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/C27H28N4O2.2C24H23N3O3.C22H20N4O2.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;1-14-4-6-19-21(11-14)27(18-9-15(2)8-16(3)10-18)24(30)23(19)26-25-20-7-5-17(13-28)12-22(20)29;1-14-7-8-19-21(12-14)27(18-10-15(2)9-16(3)11-18)24(30)22(19)26-25-20-6-4-5-17(13-28)23(20)29;1-3-15-8-11-17(12-9-15)26-22(28)20(14(2)25-26)24-23-19-13-10-16-6-4-5-7-18(16)21(19)27;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;2*4-12,28-30H,13H2,1-3H3;4-13,25,27H,3H2,1-2H3;3-12,24,26H,1-2H3/b29-28+;2*26-25+;24-23+;23-22+
InChIKeyWXYRZQMKUNYNFQ-DPCIGAAFSA-N
XLogP28.17
TPSA428.90 Ų
H-Bond Donors12
H-Bond Acceptors27
Rotatable Bonds22
Heavy Atoms148
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001974.31
LogP ≤ 528.17
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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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;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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1ccc(-n2[nH]c(C)c(/N=N/c3ccc4ccccc4c3O)c2=O)cc1.Cc1cc(C)cc(-n2c(O)c(/N=N/c3ccc(CO)cc3O)c3ccc(C)cc32)c1.Cc1cc(C)cc(-n2c(O)c(/N=N/c3cccc(CO)c3O)c3ccc(C)cc32)c1.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;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?
The InChIKey is WXYRZQMKUNYNFQ-DPCIGAAFSA-N. The full InChI is InChI=1S/C27H28N4O2.2C24H23N3O3.C22H20N4O2.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;1-14-4-6-19-21(11-14)27(18-9-15(2)8-16(3)10-18)24(30)23(19)26-25-20-7-5-17(13-28)12-22(20)29;1-14-7-8-19-21(12-14)27(18-10-15(2)9-16(3)11-18)24(30)22(19)26-25-20-6-4-5-17(13-28)23(20)29;1-3-15-8-11-17(12-9-15)26-22(28)20(14(2)25-26)24-23-19-13-10-16-6-4-5-7-18(16)21(19)27;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;2*4-12,28-30H,13H2,1-3H3;4-13,25,27H,3H2,1-2H3;3-12,24,26H,1-2H3/b29-28+;2*26-25+;24-23+;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;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?
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 has a molecular weight of 1974.31 g/mol, XLogP of 28.17, 22 rotatable bonds, 12 hydrogen bond donors, and 27 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;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 is sourced from PubChem (CID 159127265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).