2-[5-[3-(2-fluorophenyl)phenyl]-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-4-carboxylic acid

C19H12FN3O3S — CID 121461825

IUPAC2-[5-[3-(2-fluorophenyl)phenyl]-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-n2[nH]c(-c3cccc(-c4ccccc4F)c3)cc2=O)n1
InChIInChI=1S/C19H12FN3O3S/c20-14-7-2-1-6-13(14)11-4-3-5-12(8-11)15-9-17(24)23(22-15)19-21-16(10-27-19)18(25)26/h1-10,22H,(H,25,26)
InChIKeyZQZDFCHIEBKFOB-UHFFFAOYSA-N
MW381.39 g/mol
LogP3.79
Rot. Bonds4

About 2-[5-[3-(2-fluorophenyl)phenyl]-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-4-carboxylic acid

2-[5-[3-(2-fluorophenyl)phenyl]-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-4-carboxylic acid (PubChem CID 121461825) has the molecular formula C19H12FN3O3S and a molecular weight of 381.39 g/mol. Its IUPAC name is 2-[5-[3-(2-fluorophenyl)phenyl]-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[5-[3-(2-fluorophenyl)phenyl]-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-4-carboxylic acid
PubChem CID121461825
Molecular FormulaC19H12FN3O3S
Molecular Weight381.39 g/mol
Exact Mass381.06
IUPAC Name2-[5-[3-(2-fluorophenyl)phenyl]-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-n2[nH]c(-c3cccc(-c4ccccc4F)c3)cc2=O)n1
InChIInChI=1S/C19H12FN3O3S/c20-14-7-2-1-6-13(14)11-4-3-5-12(8-11)15-9-17(24)23(22-15)19-21-16(10-27-19)18(25)26/h1-10,22H,(H,25,26)
InChIKeyZQZDFCHIEBKFOB-UHFFFAOYSA-N
XLogP3.79
TPSA87.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-{3-(3,4-difluorophenyl)-5-hydroxy-4-[(4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid
CID 121457603
2-[3-(3,4-difluorophenyl)-5-hydroxy-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
CID 121457610
2-[5-[3-(2-fluorophenyl)phenyl]-3-oxo-4-[(4-sulfamoylphenyl)methyl]-1H-pyrazol-2-yl]-1,3-thiazole-4-carboxylic acid
CID 121461708
2-[3-oxo-5-(3-phenylphenyl)-4-[(4-sulfamoylphenyl)methyl]-1H-pyrazol-2-yl]-1,3-thiazole-4-carboxylic acid
CID 121461729
2-(3-oxo-5-phenyl-1H-pyrazol-2-yl)-1,3-thiazole-4-carboxylic acid
CID 121461760
2-[5-(2,4-difluorophenyl)-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-4-carboxylic acid
CID 121461805
2-[5-(3,5-difluorophenyl)-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-4-carboxylic acid
CID 121461807
2-[5-(4-fluorophenyl)-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-4-carboxylic acid
CID 121461896
2-[5-(3-fluorophenyl)-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-4-carboxylic acid
CID 137636531
2-(5-naphthalen-1-yl-3-oxo-1H-pyrazol-2-yl)-1,3-thiazole-4-carboxylic acid
CID 137638998
2-[5-(3-chlorophenyl)-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-4-carboxylic acid
CID 137640502
2-[5-(2-fluorophenyl)-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-4-carboxylic acid
CID 137645277

Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-(2-fluorophenyl)phenyl]-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[5-[3-(2-fluorophenyl)phenyl]-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-4-carboxylic acid (CID 121461825) is 2-[5-[3-(2-fluorophenyl)phenyl]-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[5-[3-(2-fluorophenyl)phenyl]-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[5-[3-(2-fluorophenyl)phenyl]-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(-n2[nH]c(-c3cccc(-c4ccccc4F)c3)cc2=O)n1.
What is the InChIKey of 2-[5-[3-(2-fluorophenyl)phenyl]-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is ZQZDFCHIEBKFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FN3O3S/c20-14-7-2-1-6-13(14)11-4-3-5-12(8-11)15-9-17(24)23(22-15)19-21-16(10-27-19)18(25)26/h1-10,22H,(H,25,26).
What are the key properties of 2-[5-[3-(2-fluorophenyl)phenyl]-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-4-carboxylic acid?
2-[5-[3-(2-fluorophenyl)phenyl]-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 381.39 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-(2-fluorophenyl)phenyl]-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 121461825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).