5-(5-methyl-3-phenylpyrazol-1-yl)-1-oxo-1,2-thiazol-3-one

C13H11N3O2S — CID 140960441

IUPAC5-(5-methyl-3-phenylpyrazol-1-yl)-1-oxo-1,2-thiazol-3-one
SMILESCc1cc(-c2ccccc2)nn1C1=CC(=O)NS1=O
InChIInChI=1S/C13H11N3O2S/c1-9-7-11(10-5-3-2-4-6-10)14-16(9)13-8-12(17)15-19(13)18/h2-8H,1H3,(H,15,17)
InChIKeyNJWMMRDAKIOVSZ-UHFFFAOYSA-N
MW273.32 g/mol
LogP1.45
Rot. Bonds2

About 5-(5-methyl-3-phenylpyrazol-1-yl)-1-oxo-1,2-thiazol-3-one

5-(5-methyl-3-phenylpyrazol-1-yl)-1-oxo-1,2-thiazol-3-one (PubChem CID 140960441) has the molecular formula C13H11N3O2S and a molecular weight of 273.32 g/mol. Its IUPAC name is 5-(5-methyl-3-phenylpyrazol-1-yl)-1-oxo-1,2-thiazol-3-one.

Molecular Properties

Compound Name5-(5-methyl-3-phenylpyrazol-1-yl)-1-oxo-1,2-thiazol-3-one
PubChem CID140960441
Molecular FormulaC13H11N3O2S
Molecular Weight273.32 g/mol
Exact Mass273.06
IUPAC Name5-(5-methyl-3-phenylpyrazol-1-yl)-1-oxo-1,2-thiazol-3-one
SMILESCc1cc(-c2ccccc2)nn1C1=CC(=O)NS1=O
InChIInChI=1S/C13H11N3O2S/c1-9-7-11(10-5-3-2-4-6-10)14-16(9)13-8-12(17)15-19(13)18/h2-8H,1H3,(H,15,17)
InChIKeyNJWMMRDAKIOVSZ-UHFFFAOYSA-N
XLogP1.45
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,5-dimethylpyrazol-1-yl)-1-oxo-1,2-thiazol-3-one
CID 140960277
5-(5-methylindazol-1-yl)-1-oxo-1,2-thiazol-3-one
CID 140960375
1-oxo-5-phenyl-1,2-thiazol-3-one
CID 146833326
1-oxo-5-[5-[3-(2-oxopropyl)phenyl]indazol-1-yl]-1,2-thiazol-3-one
CID 159323023
5-[3-(dimethylamino)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one
CID 140960532
1,3-dimethyl-5-(5-methyl-3-phenylpyrazol-1-yl)-4-nitropyrazole
CID 177460733
5-[4-(3-bromophenyl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one
CID 140960229
2-phenyl-4H-pyrazolo[1,5-a]pyrimidine-5,7-dione
CID 137182918
2-(3,5-diphenylpyrazol-1-yl)-4,5-dimethyl-1H-pyrimidin-6-one
CID 167787919
1,3,5-triphenylpyrazole
CID 626614
5-[5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one
CID 140960349
7-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-2-one
CID 721644

Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-3-phenylpyrazol-1-yl)-1-oxo-1,2-thiazol-3-one?
The IUPAC name of 5-(5-methyl-3-phenylpyrazol-1-yl)-1-oxo-1,2-thiazol-3-one (CID 140960441) is 5-(5-methyl-3-phenylpyrazol-1-yl)-1-oxo-1,2-thiazol-3-one.
What is the SMILES notation for 5-(5-methyl-3-phenylpyrazol-1-yl)-1-oxo-1,2-thiazol-3-one?
The canonical SMILES for 5-(5-methyl-3-phenylpyrazol-1-yl)-1-oxo-1,2-thiazol-3-one is Cc1cc(-c2ccccc2)nn1C1=CC(=O)NS1=O.
What is the InChIKey of 5-(5-methyl-3-phenylpyrazol-1-yl)-1-oxo-1,2-thiazol-3-one?
The InChIKey is NJWMMRDAKIOVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S/c1-9-7-11(10-5-3-2-4-6-10)14-16(9)13-8-12(17)15-19(13)18/h2-8H,1H3,(H,15,17).
What are the key properties of 5-(5-methyl-3-phenylpyrazol-1-yl)-1-oxo-1,2-thiazol-3-one?
5-(5-methyl-3-phenylpyrazol-1-yl)-1-oxo-1,2-thiazol-3-one has a molecular weight of 273.32 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-3-phenylpyrazol-1-yl)-1-oxo-1,2-thiazol-3-one is sourced from PubChem (CID 140960441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).