(2,6-dimethoxyphenyl)-(1,3,5-trimethylpyrazol-4-yl)diazene

C14H18N4O2 — CID 164822438

IUPAC(2,6-dimethoxyphenyl)-(1,3,5-trimethylpyrazol-4-yl)diazene
SMILESCOc1cccc(OC)c1/N=N/c1c(C)nn(C)c1C
InChIInChI=1S/C14H18N4O2/c1-9-13(10(2)18(3)17-9)15-16-14-11(19-4)7-6-8-12(14)20-5/h6-8H,1-5H3/b16-15+
InChIKeyZNDHQLSUSGXLHP-FOCLMDBBSA-N
MW274.32 g/mol
LogP3.47
Rot. Bonds4

About (2,6-dimethoxyphenyl)-(1,3,5-trimethylpyrazol-4-yl)diazene

(2,6-dimethoxyphenyl)-(1,3,5-trimethylpyrazol-4-yl)diazene (PubChem CID 164822438) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl)-(1,3,5-trimethylpyrazol-4-yl)diazene.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl)-(1,3,5-trimethylpyrazol-4-yl)diazene
PubChem CID164822438
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name(2,6-dimethoxyphenyl)-(1,3,5-trimethylpyrazol-4-yl)diazene
SMILESCOc1cccc(OC)c1/N=N/c1c(C)nn(C)c1C
InChIInChI=1S/C14H18N4O2/c1-9-13(10(2)18(3)17-9)15-16-14-11(19-4)7-6-8-12(14)20-5/h6-8H,1-5H3/b16-15+
InChIKeyZNDHQLSUSGXLHP-FOCLMDBBSA-N
XLogP3.47
TPSA61.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Methoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea
CID 4885279
N-(2,4-dimethoxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 815379
4-Methoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyaniline
CID 19067685
1-Ethyl-4-[(4-methoxyphenyl)diazenyl]-3,5-dimethyl-1hpyrazole
CID 156024603
2-{3,5-Dimethyl-4-[(4-methoxyphenyl)diazenyl]-1h-pyrazol-1-yl}ethan-1-ol
CID 156024615
2,4-dimethoxy-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]aniline
CID 19626069
N-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-2,4-dimethoxyaniline
CID 19626093
2,4-dimethoxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]aniline
CID 19626181
N-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2,4-dimethoxyaniline
CID 19626205
5-Fluoro-4-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)oxyaniline
CID 65555939
4-Ethoxy-5-fluoro-2-(1,3,5-trimethylpyrazol-4-yl)oxyaniline
CID 65555941
5-Fluoro-4-propoxy-2-(1,3,5-trimethylpyrazol-4-yl)oxyaniline
CID 65555942

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl)-(1,3,5-trimethylpyrazol-4-yl)diazene?
The IUPAC name of (2,6-dimethoxyphenyl)-(1,3,5-trimethylpyrazol-4-yl)diazene (CID 164822438) is (2,6-dimethoxyphenyl)-(1,3,5-trimethylpyrazol-4-yl)diazene.
What is the SMILES notation for (2,6-dimethoxyphenyl)-(1,3,5-trimethylpyrazol-4-yl)diazene?
The canonical SMILES for (2,6-dimethoxyphenyl)-(1,3,5-trimethylpyrazol-4-yl)diazene is COc1cccc(OC)c1/N=N/c1c(C)nn(C)c1C.
What is the InChIKey of (2,6-dimethoxyphenyl)-(1,3,5-trimethylpyrazol-4-yl)diazene?
The InChIKey is ZNDHQLSUSGXLHP-FOCLMDBBSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-9-13(10(2)18(3)17-9)15-16-14-11(19-4)7-6-8-12(14)20-5/h6-8H,1-5H3/b16-15+.
What are the key properties of (2,6-dimethoxyphenyl)-(1,3,5-trimethylpyrazol-4-yl)diazene?
(2,6-dimethoxyphenyl)-(1,3,5-trimethylpyrazol-4-yl)diazene has a molecular weight of 274.32 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxyphenyl)-(1,3,5-trimethylpyrazol-4-yl)diazene is sourced from PubChem (CID 164822438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).