4-(4-methoxyphenyl)-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3-thiazole-5-carboxylic acid

C27H21N3O4S — CID 118727572

IUPAC4-(4-methoxyphenyl)-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3-thiazole-5-carboxylic acid
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2-c2nc(-c3ccc(OC)cc3)c(C(=O)O)s2)cc1
InChIInChI=1S/C27H21N3O4S/c1-33-20-12-8-17(9-13-20)23-22(16-30(29-23)19-6-4-3-5-7-19)26-28-24(25(35-26)27(31)32)18-10-14-21(34-2)15-11-18/h3-16H,1-2H3,(H,31,32)
InChIKeyLESHRUCGYGCPHR-UHFFFAOYSA-N
MW483.55 g/mol
LogP6.05
Rot. Bonds7

About 4-(4-methoxyphenyl)-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3-thiazole-5-carboxylic acid

4-(4-methoxyphenyl)-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3-thiazole-5-carboxylic acid (PubChem CID 118727572) has the molecular formula C27H21N3O4S and a molecular weight of 483.55 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3-thiazole-5-carboxylic acid
PubChem CID118727572
Molecular FormulaC27H21N3O4S
Molecular Weight483.55 g/mol
Exact Mass483.13
IUPAC Name4-(4-methoxyphenyl)-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3-thiazole-5-carboxylic acid
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2-c2nc(-c3ccc(OC)cc3)c(C(=O)O)s2)cc1
InChIInChI=1S/C27H21N3O4S/c1-33-20-12-8-17(9-13-20)23-22(16-30(29-23)19-6-4-3-5-7-19)26-28-24(25(35-26)27(31)32)18-10-14-21(34-2)15-11-18/h3-16H,1-2H3,(H,31,32)
InChIKeyLESHRUCGYGCPHR-UHFFFAOYSA-N
XLogP6.05
TPSA86.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.55
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(4-methoxyphenyl)-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3-thiazole-5-carboxylic acid 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-(4-methoxyphenyl)-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-(4-methoxyphenyl)-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3-thiazole-5-carboxylic acid (CID 118727572) is 4-(4-methoxyphenyl)-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-(4-methoxyphenyl)-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-(4-methoxyphenyl)-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3-thiazole-5-carboxylic acid is COc1ccc(-c2nn(-c3ccccc3)cc2-c2nc(-c3ccc(OC)cc3)c(C(=O)O)s2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is LESHRUCGYGCPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3O4S/c1-33-20-12-8-17(9-13-20)23-22(16-30(29-23)19-6-4-3-5-7-19)26-28-24(25(35-26)27(31)32)18-10-14-21(34-2)15-11-18/h3-16H,1-2H3,(H,31,32).
What are the key properties of 4-(4-methoxyphenyl)-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3-thiazole-5-carboxylic acid?
4-(4-methoxyphenyl)-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 483.55 g/mol, XLogP of 6.05, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 118727572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).