ethane;4-[[4-[4-[(5-hydroxy-3-methyl-1-phenylpyrazol-4-yl)diazenyl]-2-methylphenyl]-3-methylphenyl]diazenyl]-3-methyl-1-phenylpyrazol-5-ol

C38H42N8O2 — CID 136506445

IUPACethane;4-[[4-[4-[(5-hydroxy-3-methyl-1-phenylpyrazol-4-yl)diazenyl]-2-methylphenyl]-3-methylphenyl]diazenyl]-3-methyl-1-phenylpyrazol-5-ol
SMILESCC.CC.Cc1cc(/N=N/c2c(C)nn(-c3ccccc3)c2O)ccc1-c1ccc(/N=N/c2c(C)nn(-c3ccccc3)c2O)cc1C
InChIInChI=1S/C34H30N8O2.2C2H6/c1-21-19-25(35-37-31-23(3)39-41(33(31)43)27-11-7-5-8-12-27)15-17-29(21)30-18-16-26(20-22(30)2)36-38-32-24(4)40-42(34(32)44)28-13-9-6-10-14-28;2*1-2/h5-20,43-44H,1-4H3;2*1-2H3/b37-35+,38-36+;;
InChIKeyGGAROHLVPRJCSG-HKXUKFGYSA-N
MW642.81 g/mol
LogP11.25
Rot. Bonds7

About ethane;4-[[4-[4-[(5-hydroxy-3-methyl-1-phenylpyrazol-4-yl)diazenyl]-2-methylphenyl]-3-methylphenyl]diazenyl]-3-methyl-1-phenylpyrazol-5-ol

ethane;4-[[4-[4-[(5-hydroxy-3-methyl-1-phenylpyrazol-4-yl)diazenyl]-2-methylphenyl]-3-methylphenyl]diazenyl]-3-methyl-1-phenylpyrazol-5-ol (PubChem CID 136506445) has the molecular formula C38H42N8O2 and a molecular weight of 642.81 g/mol. Its IUPAC name is ethane;4-[[4-[4-[(5-hydroxy-3-methyl-1-phenylpyrazol-4-yl)diazenyl]-2-methylphenyl]-3-methylphenyl]diazenyl]-3-methyl-1-phenylpyrazol-5-ol.

Molecular Properties

Compound Nameethane;4-[[4-[4-[(5-hydroxy-3-methyl-1-phenylpyrazol-4-yl)diazenyl]-2-methylphenyl]-3-methylphenyl]diazenyl]-3-methyl-1-phenylpyrazol-5-ol
PubChem CID136506445
Molecular FormulaC38H42N8O2
Molecular Weight642.81 g/mol
Exact Mass642.34
IUPAC Nameethane;4-[[4-[4-[(5-hydroxy-3-methyl-1-phenylpyrazol-4-yl)diazenyl]-2-methylphenyl]-3-methylphenyl]diazenyl]-3-methyl-1-phenylpyrazol-5-ol
SMILESCC.CC.Cc1cc(/N=N/c2c(C)nn(-c3ccccc3)c2O)ccc1-c1ccc(/N=N/c2c(C)nn(-c3ccccc3)c2O)cc1C
InChIInChI=1S/C34H30N8O2.2C2H6/c1-21-19-25(35-37-31-23(3)39-41(33(31)43)27-11-7-5-8-12-27)15-17-29(21)30-18-16-26(20-22(30)2)36-38-32-24(4)40-42(34(32)44)28-13-9-6-10-14-28;2*1-2/h5-20,43-44H,1-4H3;2*1-2H3/b37-35+,38-36+;;
InChIKeyGGAROHLVPRJCSG-HKXUKFGYSA-N
XLogP11.25
TPSA125.54 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.81
LogP ≤ 511.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze ethane;4-[[4-[4-[(5-hydroxy-3-methyl-1-phenylpyrazol-4-yl)diazenyl]-2-methylphenyl]-3-methylphenyl]diazenyl]-3-methyl-1-phenylpyrazol-5-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethane;4-[[4-[4-[(5-hydroxy-3-methyl-1-phenylpyrazol-4-yl)diazenyl]-2-methylphenyl]-3-methylphenyl]diazenyl]-3-methyl-1-phenylpyrazol-5-ol?
The IUPAC name of ethane;4-[[4-[4-[(5-hydroxy-3-methyl-1-phenylpyrazol-4-yl)diazenyl]-2-methylphenyl]-3-methylphenyl]diazenyl]-3-methyl-1-phenylpyrazol-5-ol (CID 136506445) is ethane;4-[[4-[4-[(5-hydroxy-3-methyl-1-phenylpyrazol-4-yl)diazenyl]-2-methylphenyl]-3-methylphenyl]diazenyl]-3-methyl-1-phenylpyrazol-5-ol.
What is the SMILES notation for ethane;4-[[4-[4-[(5-hydroxy-3-methyl-1-phenylpyrazol-4-yl)diazenyl]-2-methylphenyl]-3-methylphenyl]diazenyl]-3-methyl-1-phenylpyrazol-5-ol?
The canonical SMILES for ethane;4-[[4-[4-[(5-hydroxy-3-methyl-1-phenylpyrazol-4-yl)diazenyl]-2-methylphenyl]-3-methylphenyl]diazenyl]-3-methyl-1-phenylpyrazol-5-ol is CC.CC.Cc1cc(/N=N/c2c(C)nn(-c3ccccc3)c2O)ccc1-c1ccc(/N=N/c2c(C)nn(-c3ccccc3)c2O)cc1C.
What is the InChIKey of ethane;4-[[4-[4-[(5-hydroxy-3-methyl-1-phenylpyrazol-4-yl)diazenyl]-2-methylphenyl]-3-methylphenyl]diazenyl]-3-methyl-1-phenylpyrazol-5-ol?
The InChIKey is GGAROHLVPRJCSG-HKXUKFGYSA-N. The full InChI is InChI=1S/C34H30N8O2.2C2H6/c1-21-19-25(35-37-31-23(3)39-41(33(31)43)27-11-7-5-8-12-27)15-17-29(21)30-18-16-26(20-22(30)2)36-38-32-24(4)40-42(34(32)44)28-13-9-6-10-14-28;2*1-2/h5-20,43-44H,1-4H3;2*1-2H3/b37-35+,38-36+;;.
What are the key properties of ethane;4-[[4-[4-[(5-hydroxy-3-methyl-1-phenylpyrazol-4-yl)diazenyl]-2-methylphenyl]-3-methylphenyl]diazenyl]-3-methyl-1-phenylpyrazol-5-ol?
ethane;4-[[4-[4-[(5-hydroxy-3-methyl-1-phenylpyrazol-4-yl)diazenyl]-2-methylphenyl]-3-methylphenyl]diazenyl]-3-methyl-1-phenylpyrazol-5-ol has a molecular weight of 642.81 g/mol, XLogP of 11.25, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[[4-[4-[(5-hydroxy-3-methyl-1-phenylpyrazol-4-yl)diazenyl]-2-methylphenyl]-3-methylphenyl]diazenyl]-3-methyl-1-phenylpyrazol-5-ol is sourced from PubChem (CID 136506445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).