3,5-diethyl-2-[[3-ethyl-5-methoxy-1-(4-methoxyphenyl)pyrazol-4-yl]diazenyl]phenol

C23H28N4O3 — CID 136507021

IUPAC3,5-diethyl-2-[[3-ethyl-5-methoxy-1-(4-methoxyphenyl)pyrazol-4-yl]diazenyl]phenol
SMILESCCc1cc(O)c(/N=N/c2c(CC)nn(-c3ccc(OC)cc3)c2OC)c(CC)c1
InChIInChI=1S/C23H28N4O3/c1-6-15-13-16(7-2)21(20(28)14-15)24-25-22-19(8-3)26-27(23(22)30-5)17-9-11-18(29-4)12-10-17/h9-14,28H,6-8H2,1-5H3/b25-24+
InChIKeyYVEYLUPBURKEAW-OCOZRVBESA-N
MW408.50 g/mol
LogP5.70
Rot. Bonds8

About 3,5-diethyl-2-[[3-ethyl-5-methoxy-1-(4-methoxyphenyl)pyrazol-4-yl]diazenyl]phenol

3,5-diethyl-2-[[3-ethyl-5-methoxy-1-(4-methoxyphenyl)pyrazol-4-yl]diazenyl]phenol (PubChem CID 136507021) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 3,5-diethyl-2-[[3-ethyl-5-methoxy-1-(4-methoxyphenyl)pyrazol-4-yl]diazenyl]phenol.

Molecular Properties

Compound Name3,5-diethyl-2-[[3-ethyl-5-methoxy-1-(4-methoxyphenyl)pyrazol-4-yl]diazenyl]phenol
PubChem CID136507021
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name3,5-diethyl-2-[[3-ethyl-5-methoxy-1-(4-methoxyphenyl)pyrazol-4-yl]diazenyl]phenol
SMILESCCc1cc(O)c(/N=N/c2c(CC)nn(-c3ccc(OC)cc3)c2OC)c(CC)c1
InChIInChI=1S/C23H28N4O3/c1-6-15-13-16(7-2)21(20(28)14-15)24-25-22-19(8-3)26-27(23(22)30-5)17-9-11-18(29-4)12-10-17/h9-14,28H,6-8H2,1-5H3/b25-24+
InChIKeyYVEYLUPBURKEAW-OCOZRVBESA-N
XLogP5.70
TPSA81.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.50
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-2-[[3-ethyl-5-methoxy-1-(4-methoxyphenyl)pyrazol-4-yl]diazenyl]phenol?
The IUPAC name of 3,5-diethyl-2-[[3-ethyl-5-methoxy-1-(4-methoxyphenyl)pyrazol-4-yl]diazenyl]phenol (CID 136507021) is 3,5-diethyl-2-[[3-ethyl-5-methoxy-1-(4-methoxyphenyl)pyrazol-4-yl]diazenyl]phenol.
What is the SMILES notation for 3,5-diethyl-2-[[3-ethyl-5-methoxy-1-(4-methoxyphenyl)pyrazol-4-yl]diazenyl]phenol?
The canonical SMILES for 3,5-diethyl-2-[[3-ethyl-5-methoxy-1-(4-methoxyphenyl)pyrazol-4-yl]diazenyl]phenol is CCc1cc(O)c(/N=N/c2c(CC)nn(-c3ccc(OC)cc3)c2OC)c(CC)c1.
What is the InChIKey of 3,5-diethyl-2-[[3-ethyl-5-methoxy-1-(4-methoxyphenyl)pyrazol-4-yl]diazenyl]phenol?
The InChIKey is YVEYLUPBURKEAW-OCOZRVBESA-N. The full InChI is InChI=1S/C23H28N4O3/c1-6-15-13-16(7-2)21(20(28)14-15)24-25-22-19(8-3)26-27(23(22)30-5)17-9-11-18(29-4)12-10-17/h9-14,28H,6-8H2,1-5H3/b25-24+.
What are the key properties of 3,5-diethyl-2-[[3-ethyl-5-methoxy-1-(4-methoxyphenyl)pyrazol-4-yl]diazenyl]phenol?
3,5-diethyl-2-[[3-ethyl-5-methoxy-1-(4-methoxyphenyl)pyrazol-4-yl]diazenyl]phenol has a molecular weight of 408.50 g/mol, XLogP of 5.70, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-2-[[3-ethyl-5-methoxy-1-(4-methoxyphenyl)pyrazol-4-yl]diazenyl]phenol is sourced from PubChem (CID 136507021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).