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

C21H19N5O3S — CID 1359273

IUPAC4-[(2-hydroxy-4-methylphenyl)diazenyl]-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1H-pyrazol-3-one
SMILESCOc1ccc(-c2csc(-n3[nH]c(C)c(/N=N/c4ccc(C)cc4O)c3=O)n2)cc1
InChIInChI=1S/C21H19N5O3S/c1-12-4-9-16(18(27)10-12)23-24-19-13(2)25-26(20(19)28)21-22-17(11-30-21)14-5-7-15(29-3)8-6-14/h4-11,25,27H,1-3H3/b24-23+
InChIKeyCJJMXBHJZCVCKY-WCWDXBQESA-N
MW421.48 g/mol
LogP5.04
Rot. Bonds5

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

4-[(2-hydroxy-4-methylphenyl)diazenyl]-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1H-pyrazol-3-one (PubChem CID 1359273) has the molecular formula C21H19N5O3S and a molecular weight of 421.48 g/mol. Its IUPAC name is 4-[(2-hydroxy-4-methylphenyl)diazenyl]-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-[(2-hydroxy-4-methylphenyl)diazenyl]-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1H-pyrazol-3-one
PubChem CID1359273
Molecular FormulaC21H19N5O3S
Molecular Weight421.48 g/mol
Exact Mass421.12
IUPAC Name4-[(2-hydroxy-4-methylphenyl)diazenyl]-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1H-pyrazol-3-one
SMILESCOc1ccc(-c2csc(-n3[nH]c(C)c(/N=N/c4ccc(C)cc4O)c3=O)n2)cc1
InChIInChI=1S/C21H19N5O3S/c1-12-4-9-16(18(27)10-12)23-24-19-13(2)25-26(20(19)28)21-22-17(11-30-21)14-5-7-15(29-3)8-6-14/h4-11,25,27H,1-3H3/b24-23+
InChIKeyCJJMXBHJZCVCKY-WCWDXBQESA-N
XLogP5.04
TPSA104.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.48
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-[(2-hydroxy-4-methylphenyl)diazenyl]-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-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-hydroxy-4-methylphenyl)diazenyl]-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1H-pyrazol-3-one?
The IUPAC name of 4-[(2-hydroxy-4-methylphenyl)diazenyl]-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1H-pyrazol-3-one (CID 1359273) is 4-[(2-hydroxy-4-methylphenyl)diazenyl]-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1H-pyrazol-3-one.
What is the SMILES notation for 4-[(2-hydroxy-4-methylphenyl)diazenyl]-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1H-pyrazol-3-one?
The canonical SMILES for 4-[(2-hydroxy-4-methylphenyl)diazenyl]-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1H-pyrazol-3-one is COc1ccc(-c2csc(-n3[nH]c(C)c(/N=N/c4ccc(C)cc4O)c3=O)n2)cc1.
What is the InChIKey of 4-[(2-hydroxy-4-methylphenyl)diazenyl]-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1H-pyrazol-3-one?
The InChIKey is CJJMXBHJZCVCKY-WCWDXBQESA-N. The full InChI is InChI=1S/C21H19N5O3S/c1-12-4-9-16(18(27)10-12)23-24-19-13(2)25-26(20(19)28)21-22-17(11-30-21)14-5-7-15(29-3)8-6-14/h4-11,25,27H,1-3H3/b24-23+.
What are the key properties of 4-[(2-hydroxy-4-methylphenyl)diazenyl]-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1H-pyrazol-3-one?
4-[(2-hydroxy-4-methylphenyl)diazenyl]-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1H-pyrazol-3-one has a molecular weight of 421.48 g/mol, XLogP of 5.04, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-4-methylphenyl)diazenyl]-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1H-pyrazol-3-one is sourced from PubChem (CID 1359273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).