2-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C15H23F3N4O3S — CID 36659948

IUPAC2-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1nn(CC(=O)NCC(F)(F)F)c(C)c1S(=O)(=O)N1CCC(C)CC1
InChIInChI=1S/C15H23F3N4O3S/c1-10-4-6-21(7-5-10)26(24,25)14-11(2)20-22(12(14)3)8-13(23)19-9-15(16,17)18/h10H,4-9H2,1-3H3,(H,19,23)
InChIKeyCPGSDHCTVRKSSR-UHFFFAOYSA-N
MW396.44 g/mol
LogP1.60
Rot. Bonds5

About 2-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 36659948) has the molecular formula C15H23F3N4O3S and a molecular weight of 396.44 g/mol. Its IUPAC name is 2-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID36659948
Molecular FormulaC15H23F3N4O3S
Molecular Weight396.44 g/mol
Exact Mass396.14
IUPAC Name2-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1nn(CC(=O)NCC(F)(F)F)c(C)c1S(=O)(=O)N1CCC(C)CC1
InChIInChI=1S/C15H23F3N4O3S/c1-10-4-6-21(7-5-10)26(24,25)14-11(2)20-22(12(14)3)8-13(23)19-9-15(16,17)18/h10H,4-9H2,1-3H3,(H,19,23)
InChIKeyCPGSDHCTVRKSSR-UHFFFAOYSA-N
XLogP1.60
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(tert-butylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-cyclopropylacetamide
CID 8901194
N-cyclopropyl-2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]acetamide
CID 8167944
2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-methylacetamide
CID 8901144
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]acetamide
CID 9322100
N-cyclohexyl-1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 3239697
2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 8899831
N-butyl-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)acetamide
CID 8901104
2-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 16273067
N-cyclohexyl-1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 3236901
N-cycloheptyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 5307483
2-[2-Methylpropyl-(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]acetamide
CID 47185639
2-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)-N,N-diethylacetamide
CID 8009596

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 36659948) is 2-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is Cc1nn(CC(=O)NCC(F)(F)F)c(C)c1S(=O)(=O)N1CCC(C)CC1.
What is the InChIKey of 2-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is CPGSDHCTVRKSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N4O3S/c1-10-4-6-21(7-5-10)26(24,25)14-11(2)20-22(12(14)3)8-13(23)19-9-15(16,17)18/h10H,4-9H2,1-3H3,(H,19,23).
What are the key properties of 2-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 396.44 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 36659948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).