2-(1,3-diphenylpyrazol-4-yl)-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylic acid

C25H16FN3O2S — CID 118727569

IUPAC2-(1,3-diphenylpyrazol-4-yl)-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(-c2cn(-c3ccccc3)nc2-c2ccccc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C25H16FN3O2S/c26-18-13-11-17(12-14-18)22-23(25(30)31)32-24(27-22)20-15-29(19-9-5-2-6-10-19)28-21(20)16-7-3-1-4-8-16/h1-15H,(H,30,31)
InChIKeyWBYBJEFQRCHNMK-UHFFFAOYSA-N
MW441.49 g/mol
LogP6.17
Rot. Bonds5

About 2-(1,3-diphenylpyrazol-4-yl)-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylic acid

2-(1,3-diphenylpyrazol-4-yl)-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 118727569) has the molecular formula C25H16FN3O2S and a molecular weight of 441.49 g/mol. Its IUPAC name is 2-(1,3-diphenylpyrazol-4-yl)-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(1,3-diphenylpyrazol-4-yl)-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylic acid
PubChem CID118727569
Molecular FormulaC25H16FN3O2S
Molecular Weight441.49 g/mol
Exact Mass441.09
IUPAC Name2-(1,3-diphenylpyrazol-4-yl)-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(-c2cn(-c3ccccc3)nc2-c2ccccc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C25H16FN3O2S/c26-18-13-11-17(12-14-18)22-23(25(30)31)32-24(27-22)20-15-29(19-9-5-2-6-10-19)28-21(20)16-7-3-1-4-8-16/h1-15H,(H,30,31)
InChIKeyWBYBJEFQRCHNMK-UHFFFAOYSA-N
XLogP6.17
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.49
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1,3-diphenylpyrazol-4-yl)-4-(4-fluorophenyl)-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

Related Compounds

4-Phenyl-2-(4-pyridyl)thiazole-5-carboxylic acid
CID 73012807
US20230348450, Example 60
CID 162757031
1-phenyl-3-(thiophen-2-yl)-1H-pyrazole-4-carboxylic acid
CID 976497
Ethyl 2-(1,3-diphenylpyrazol-4-yl)-4-phenyl-1,3-thiazole-5-carboxylate
CID 118727551
Ethyl 2-(1,3-diphenylpyrazol-4-yl)-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate
CID 118727553
Ethyl 4-(4-chlorophenyl)-2-(1,3-diphenylpyrazol-4-yl)-1,3-thiazole-5-carboxylate
CID 118727554
Ethyl 4-(4-fluorophenyl)-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3-thiazole-5-carboxylate
CID 118727557
Ethyl 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-4-phenyl-1,3-thiazole-5-carboxylate
CID 118727559
Ethyl 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-4-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate
CID 118727560
Ethyl 4-(4-fluorophenyl)-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1,3-thiazole-5-carboxylate
CID 118727561
Ethyl 4-(4-chlorophenyl)-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1,3-thiazole-5-carboxylate
CID 118727562
Ethyl 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-4-phenyl-1,3-thiazole-5-carboxylate
CID 118727563

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-diphenylpyrazol-4-yl)-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(1,3-diphenylpyrazol-4-yl)-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylic acid (CID 118727569) is 2-(1,3-diphenylpyrazol-4-yl)-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(1,3-diphenylpyrazol-4-yl)-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(1,3-diphenylpyrazol-4-yl)-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylic acid is O=C(O)c1sc(-c2cn(-c3ccccc3)nc2-c2ccccc2)nc1-c1ccc(F)cc1.
What is the InChIKey of 2-(1,3-diphenylpyrazol-4-yl)-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is WBYBJEFQRCHNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16FN3O2S/c26-18-13-11-17(12-14-18)22-23(25(30)31)32-24(27-22)20-15-29(19-9-5-2-6-10-19)28-21(20)16-7-3-1-4-8-16/h1-15H,(H,30,31).
What are the key properties of 2-(1,3-diphenylpyrazol-4-yl)-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylic acid?
2-(1,3-diphenylpyrazol-4-yl)-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 441.49 g/mol, XLogP of 6.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-diphenylpyrazol-4-yl)-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 118727569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).