5-methyl-4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]-2-(4-pentylcyclohexyl)-1H-pyrazol-3-one

C28H36N6O — CID 136625866

IUPAC5-methyl-4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]-2-(4-pentylcyclohexyl)-1H-pyrazol-3-one
SMILESCCCCCC1CCC(n2[nH]c(C)c(/N=N/c3ccc(/N=N/c4ccc(C)cc4)cc3)c2=O)CC1
InChIInChI=1S/C28H36N6O/c1-4-5-6-7-22-10-18-26(19-11-22)34-28(35)27(21(3)33-34)32-31-25-16-14-24(15-17-25)30-29-23-12-8-20(2)9-13-23/h8-9,12-17,22,26,33H,4-7,10-11,18-19H2,1-3H3/b30-29+,32-31+
InChIKeyRSGYHPNZBUCTEU-PNBBGTCESA-N
MW472.64 g/mol
LogP8.94
Rot. Bonds9

About 5-methyl-4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]-2-(4-pentylcyclohexyl)-1H-pyrazol-3-one

5-methyl-4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]-2-(4-pentylcyclohexyl)-1H-pyrazol-3-one (PubChem CID 136625866) has the molecular formula C28H36N6O and a molecular weight of 472.64 g/mol. Its IUPAC name is 5-methyl-4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]-2-(4-pentylcyclohexyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-methyl-4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]-2-(4-pentylcyclohexyl)-1H-pyrazol-3-one
PubChem CID136625866
Molecular FormulaC28H36N6O
Molecular Weight472.64 g/mol
Exact Mass472.30
IUPAC Name5-methyl-4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]-2-(4-pentylcyclohexyl)-1H-pyrazol-3-one
SMILESCCCCCC1CCC(n2[nH]c(C)c(/N=N/c3ccc(/N=N/c4ccc(C)cc4)cc3)c2=O)CC1
InChIInChI=1S/C28H36N6O/c1-4-5-6-7-22-10-18-26(19-11-22)34-28(35)27(21(3)33-34)32-31-25-16-14-24(15-17-25)30-29-23-12-8-20(2)9-13-23/h8-9,12-17,22,26,33H,4-7,10-11,18-19H2,1-3H3/b30-29+,32-31+
InChIKeyRSGYHPNZBUCTEU-PNBBGTCESA-N
XLogP8.94
TPSA87.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.64
LogP ≤ 58.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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'}

Analyze 5-methyl-4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]-2-(4-pentylcyclohexyl)-1H-pyrazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-2-(4-pentylcyclohexyl)-4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]-1H-pyrazol-3-one
CID 136626014
1-methyl-4-[4-(4-pentylcyclohexyl)butyl]benzene
CID 18965894
5-butyl-4-methyl-2-[5-methyl-4-[(4-methylphenyl)diazenyl]-3-oxo-1H-pyrazol-2-yl]-1H-pyrimidin-6-one
CID 136864735
2-tert-butyl-5-ethyl-4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazol-3-one;4-[[4-[(4-butylphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]-2-cyclopentyl-5-methyl-1H-pyrazol-3-one;4-[[4-[(4-butylphenyl)diazenyl]-2-methylphenyl]diazenyl]-2,5-dimethyl-1H-pyrazol-3-one;4-[[4-[(3,4-dibutylphenyl)diazenyl]phenyl]diazenyl]-2-methyl-5-pentyl-1H-pyrazol-3-one;2-methyl-4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]-5-(2-methylpropyl)-1H-pyrazol-3-one
CID 162166322
1-(4-decylcyclohexyl)-4-(4-methylphenyl)benzene
CID 20539068
1-methyl-4-(4-pentylcyclohexyl)oxybenzene
CID 20667925
hexane;pentylcyclopropane
CID 159592467
4-[[4-[(4-butylphenyl)diazenyl]-2-methylphenyl]diazenyl]-2,5-dimethyl-1H-pyrazol-3-one
CID 135976122
1-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;bis(1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene)
CID 161029870
2-(4-chloro-5-ethyl-6-methylpyrimidin-2-yl)-5-methyl-4-[(4-methylphenyl)diazenyl]-1H-pyrazol-3-one
CID 136864868
[4-(4-butylpiperazin-1-yl)phenyl]-[4-[[4-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]phenyl]diazenyl]phenyl]diazene
CID 58862886
4-[(4-ethylphenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
CID 135604011

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]-2-(4-pentylcyclohexyl)-1H-pyrazol-3-one?
The IUPAC name of 5-methyl-4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]-2-(4-pentylcyclohexyl)-1H-pyrazol-3-one (CID 136625866) is 5-methyl-4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]-2-(4-pentylcyclohexyl)-1H-pyrazol-3-one.
What is the SMILES notation for 5-methyl-4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]-2-(4-pentylcyclohexyl)-1H-pyrazol-3-one?
The canonical SMILES for 5-methyl-4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]-2-(4-pentylcyclohexyl)-1H-pyrazol-3-one is CCCCCC1CCC(n2[nH]c(C)c(/N=N/c3ccc(/N=N/c4ccc(C)cc4)cc3)c2=O)CC1.
What is the InChIKey of 5-methyl-4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]-2-(4-pentylcyclohexyl)-1H-pyrazol-3-one?
The InChIKey is RSGYHPNZBUCTEU-PNBBGTCESA-N. The full InChI is InChI=1S/C28H36N6O/c1-4-5-6-7-22-10-18-26(19-11-22)34-28(35)27(21(3)33-34)32-31-25-16-14-24(15-17-25)30-29-23-12-8-20(2)9-13-23/h8-9,12-17,22,26,33H,4-7,10-11,18-19H2,1-3H3/b30-29+,32-31+.
What are the key properties of 5-methyl-4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]-2-(4-pentylcyclohexyl)-1H-pyrazol-3-one?
5-methyl-4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]-2-(4-pentylcyclohexyl)-1H-pyrazol-3-one has a molecular weight of 472.64 g/mol, XLogP of 8.94, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]-2-(4-pentylcyclohexyl)-1H-pyrazol-3-one is sourced from PubChem (CID 136625866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).