2-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethylpyrazol-4-yl]-N-phenylacetamide

C22H19FN4OS — CID 53045303

IUPAC2-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethylpyrazol-4-yl]-N-phenylacetamide
SMILESCc1nn(-c2nc(-c3ccc(F)cc3)cs2)c(C)c1CC(=O)Nc1ccccc1
InChIInChI=1S/C22H19FN4OS/c1-14-19(12-21(28)24-18-6-4-3-5-7-18)15(2)27(26-14)22-25-20(13-29-22)16-8-10-17(23)11-9-16/h3-11,13H,12H2,1-2H3,(H,24,28)
InChIKeyCDCKEQFZCAENKH-UHFFFAOYSA-N
MW406.49 g/mol
LogP4.93
Rot. Bonds5

About 2-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethylpyrazol-4-yl]-N-phenylacetamide

2-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethylpyrazol-4-yl]-N-phenylacetamide (PubChem CID 53045303) has the molecular formula C22H19FN4OS and a molecular weight of 406.49 g/mol. Its IUPAC name is 2-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethylpyrazol-4-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethylpyrazol-4-yl]-N-phenylacetamide
PubChem CID53045303
Molecular FormulaC22H19FN4OS
Molecular Weight406.49 g/mol
Exact Mass406.13
IUPAC Name2-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethylpyrazol-4-yl]-N-phenylacetamide
SMILESCc1nn(-c2nc(-c3ccc(F)cc3)cs2)c(C)c1CC(=O)Nc1ccccc1
InChIInChI=1S/C22H19FN4OS/c1-14-19(12-21(28)24-18-6-4-3-5-7-18)15(2)27(26-14)22-25-20(13-29-22)16-8-10-17(23)11-9-16/h3-11,13H,12H2,1-2H3,(H,24,28)
InChIKeyCDCKEQFZCAENKH-UHFFFAOYSA-N
XLogP4.93
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-2-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethylpyrazol-4-yl]acetamide
CID 53045309
2-[3,5-dimethyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-4-yl]-N-(3-methylphenyl)acetamide
CID 53045281
2-[2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-phenylacetamide
CID 50746050
2-[2-[4-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]-N-phenylacetamide
CID 50751077
N-(4-fluorophenyl)-2-[2-[4-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide
CID 50751083
1-(azepan-1-yl)-2-[3,5-dimethyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-4-yl]ethanone
CID 53045268
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide
CID 86865590
N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]acetamide
CID 25281829
N-(4-fluorophenyl)-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetamide
CID 50837010
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 34050635
N-(3,4-dimethylphenyl)-2-[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]acetamide
CID 46269222
2-phenyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 4224043

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethylpyrazol-4-yl]-N-phenylacetamide?
The IUPAC name of 2-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethylpyrazol-4-yl]-N-phenylacetamide (CID 53045303) is 2-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethylpyrazol-4-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethylpyrazol-4-yl]-N-phenylacetamide?
The canonical SMILES for 2-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethylpyrazol-4-yl]-N-phenylacetamide is Cc1nn(-c2nc(-c3ccc(F)cc3)cs2)c(C)c1CC(=O)Nc1ccccc1.
What is the InChIKey of 2-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethylpyrazol-4-yl]-N-phenylacetamide?
The InChIKey is CDCKEQFZCAENKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4OS/c1-14-19(12-21(28)24-18-6-4-3-5-7-18)15(2)27(26-14)22-25-20(13-29-22)16-8-10-17(23)11-9-16/h3-11,13H,12H2,1-2H3,(H,24,28).
What are the key properties of 2-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethylpyrazol-4-yl]-N-phenylacetamide?
2-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethylpyrazol-4-yl]-N-phenylacetamide has a molecular weight of 406.49 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethylpyrazol-4-yl]-N-phenylacetamide is sourced from PubChem (CID 53045303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).