3-(3,5-dimethylpyrazol-1-yl)-N-(2-methylsulfonylethyl)benzamide

C15H19N3O3S — CID 72859306

IUPAC3-(3,5-dimethylpyrazol-1-yl)-N-(2-methylsulfonylethyl)benzamide
SMILESCc1cc(C)n(-c2cccc(C(=O)NCCS(C)(=O)=O)c2)n1
InChIInChI=1S/C15H19N3O3S/c1-11-9-12(2)18(17-11)14-6-4-5-13(10-14)15(19)16-7-8-22(3,20)21/h4-6,9-10H,7-8H2,1-3H3,(H,16,19)
InChIKeyFLTUNPYHOMZLLD-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.26
Rot. Bonds5

About 3-(3,5-dimethylpyrazol-1-yl)-N-(2-methylsulfonylethyl)benzamide

3-(3,5-dimethylpyrazol-1-yl)-N-(2-methylsulfonylethyl)benzamide (PubChem CID 72859306) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-N-(2-methylsulfonylethyl)benzamide.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-N-(2-methylsulfonylethyl)benzamide
PubChem CID72859306
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-N-(2-methylsulfonylethyl)benzamide
SMILESCc1cc(C)n(-c2cccc(C(=O)NCCS(C)(=O)=O)c2)n1
InChIInChI=1S/C15H19N3O3S/c1-11-9-12(2)18(17-11)14-6-4-5-13(10-14)15(19)16-7-8-22(3,20)21/h4-6,9-10H,7-8H2,1-3H3,(H,16,19)
InChIKeyFLTUNPYHOMZLLD-UHFFFAOYSA-N
XLogP1.26
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 58656859
CID 58656859
3-[[3-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N-(2-methoxyethyl)-2-methylbenzamide
CID 131921932
methyl 3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-3-oxopropanoate
CID 156788382
ethyl 3-(3,5-dimethylpyrazol-1-yl)benzoate
CID 50883494
4-amino-3-methyl-N-(2-methylsulfonylethyl)benzamide
CID 54932022
N-(1-carbamoylcyclopentyl)-3-(3,5-dimethylpyrazol-1-yl)benzamide
CID 72914025
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 55707237
N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(3,5-dimethylpyrazol-1-yl)benzamide
CID 155910477
N-(1-carbamoylcyclohexyl)-3-(3,5-dimethylpyrazol-1-yl)benzamide
CID 72875646
N-(3-aminopropyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 119408817
4-(3,5-dimethylpyrazol-1-yl)-N-[2-[di(propan-2-yl)amino]ethyl]benzamide
CID 26197510
N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-3-(3,5-dimethylpyrazol-1-yl)benzamide
CID 155919058

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-(2-methylsulfonylethyl)benzamide?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-(2-methylsulfonylethyl)benzamide (CID 72859306) is 3-(3,5-dimethylpyrazol-1-yl)-N-(2-methylsulfonylethyl)benzamide.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-N-(2-methylsulfonylethyl)benzamide?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-N-(2-methylsulfonylethyl)benzamide is Cc1cc(C)n(-c2cccc(C(=O)NCCS(C)(=O)=O)c2)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-N-(2-methylsulfonylethyl)benzamide?
The InChIKey is FLTUNPYHOMZLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-11-9-12(2)18(17-11)14-6-4-5-13(10-14)15(19)16-7-8-22(3,20)21/h4-6,9-10H,7-8H2,1-3H3,(H,16,19).
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-N-(2-methylsulfonylethyl)benzamide?
3-(3,5-dimethylpyrazol-1-yl)-N-(2-methylsulfonylethyl)benzamide has a molecular weight of 321.40 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-N-(2-methylsulfonylethyl)benzamide is sourced from PubChem (CID 72859306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).