2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazol-3-one

C26H21N7O2S — CID 5040430

IUPAC2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazol-3-one
SMILESCOc1ccc(-c2csc(-n3[nH]c(C)c(/N=N/c4ccc(/N=N/c5ccccc5)cc4)c3=O)n2)cc1
InChIInChI=1S/C26H21N7O2S/c1-17-24(31-30-21-12-10-20(11-13-21)29-28-19-6-4-3-5-7-19)25(34)33(32-17)26-27-23(16-36-26)18-8-14-22(35-2)15-9-18/h3-16,32H,1-2H3/b29-28+,31-30+
InChIKeyFBLKDNQZLKREAN-DUJDKOHPSA-N
MW495.57 g/mol
LogP7.44
Rot. Bonds7

About 2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazol-3-one

2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazol-3-one (PubChem CID 5040430) has the molecular formula C26H21N7O2S and a molecular weight of 495.57 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazol-3-one
PubChem CID5040430
Molecular FormulaC26H21N7O2S
Molecular Weight495.57 g/mol
Exact Mass495.15
IUPAC Name2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazol-3-one
SMILESCOc1ccc(-c2csc(-n3[nH]c(C)c(/N=N/c4ccc(/N=N/c5ccccc5)cc4)c3=O)n2)cc1
InChIInChI=1S/C26H21N7O2S/c1-17-24(31-30-21-12-10-20(11-13-21)29-28-19-6-4-3-5-7-19)25(34)33(32-17)26-27-23(16-36-26)18-8-14-22(35-2)15-9-18/h3-16,32H,1-2H3/b29-28+,31-30+
InChIKeyFBLKDNQZLKREAN-DUJDKOHPSA-N
XLogP7.44
TPSA109.35 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.57
LogP ≤ 57.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]-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 2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazol-3-one?
The IUPAC name of 2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazol-3-one (CID 5040430) is 2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazol-3-one.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazol-3-one?
The canonical SMILES for 2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazol-3-one is COc1ccc(-c2csc(-n3[nH]c(C)c(/N=N/c4ccc(/N=N/c5ccccc5)cc4)c3=O)n2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazol-3-one?
The InChIKey is FBLKDNQZLKREAN-DUJDKOHPSA-N. The full InChI is InChI=1S/C26H21N7O2S/c1-17-24(31-30-21-12-10-20(11-13-21)29-28-19-6-4-3-5-7-19)25(34)33(32-17)26-27-23(16-36-26)18-8-14-22(35-2)15-9-18/h3-16,32H,1-2H3/b29-28+,31-30+.
What are the key properties of 2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazol-3-one?
2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazol-3-one has a molecular weight of 495.57 g/mol, XLogP of 7.44, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazol-3-one is sourced from PubChem (CID 5040430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).