4-[(2-ethoxyphenyl)diazenyl]-5-ethyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one

C23H23N5O2S — CID 155418210

IUPAC4-[(2-ethoxyphenyl)diazenyl]-5-ethyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one
SMILESCCOc1ccccc1/N=N/c1c(CC)[nH]n(-c2nc(-c3ccccc3)c(C)s2)c1=O
InChIInChI=1S/C23H23N5O2S/c1-4-17-21(26-25-18-13-9-10-14-19(18)30-5-2)22(29)28(27-17)23-24-20(15(3)31-23)16-11-7-6-8-12-16/h6-14,27H,4-5H2,1-3H3/b26-25+
InChIKeyPBEHHFFQOAGIRH-OCEACIFDSA-N
MW433.54 g/mol
LogP5.97
Rot. Bonds7

About 4-[(2-ethoxyphenyl)diazenyl]-5-ethyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one

4-[(2-ethoxyphenyl)diazenyl]-5-ethyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one (PubChem CID 155418210) has the molecular formula C23H23N5O2S and a molecular weight of 433.54 g/mol. Its IUPAC name is 4-[(2-ethoxyphenyl)diazenyl]-5-ethyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-[(2-ethoxyphenyl)diazenyl]-5-ethyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one
PubChem CID155418210
Molecular FormulaC23H23N5O2S
Molecular Weight433.54 g/mol
Exact Mass433.16
IUPAC Name4-[(2-ethoxyphenyl)diazenyl]-5-ethyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one
SMILESCCOc1ccccc1/N=N/c1c(CC)[nH]n(-c2nc(-c3ccccc3)c(C)s2)c1=O
InChIInChI=1S/C23H23N5O2S/c1-4-17-21(26-25-18-13-9-10-14-19(18)30-5-2)22(29)28(27-17)23-24-20(15(3)31-23)16-11-7-6-8-12-16/h6-14,27H,4-5H2,1-3H3/b26-25+
InChIKeyPBEHHFFQOAGIRH-OCEACIFDSA-N
XLogP5.97
TPSA84.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.54
LogP ≤ 55.97
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'}

Analyze 4-[(2-ethoxyphenyl)diazenyl]-5-ethyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-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

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethoxyphenyl)diazenyl]-5-ethyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one?
The IUPAC name of 4-[(2-ethoxyphenyl)diazenyl]-5-ethyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one (CID 155418210) is 4-[(2-ethoxyphenyl)diazenyl]-5-ethyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one.
What is the SMILES notation for 4-[(2-ethoxyphenyl)diazenyl]-5-ethyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one?
The canonical SMILES for 4-[(2-ethoxyphenyl)diazenyl]-5-ethyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one is CCOc1ccccc1/N=N/c1c(CC)[nH]n(-c2nc(-c3ccccc3)c(C)s2)c1=O.
What is the InChIKey of 4-[(2-ethoxyphenyl)diazenyl]-5-ethyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one?
The InChIKey is PBEHHFFQOAGIRH-OCEACIFDSA-N. The full InChI is InChI=1S/C23H23N5O2S/c1-4-17-21(26-25-18-13-9-10-14-19(18)30-5-2)22(29)28(27-17)23-24-20(15(3)31-23)16-11-7-6-8-12-16/h6-14,27H,4-5H2,1-3H3/b26-25+.
What are the key properties of 4-[(2-ethoxyphenyl)diazenyl]-5-ethyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one?
4-[(2-ethoxyphenyl)diazenyl]-5-ethyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one has a molecular weight of 433.54 g/mol, XLogP of 5.97, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethoxyphenyl)diazenyl]-5-ethyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one is sourced from PubChem (CID 155418210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).