N-(1-ethylsulfonylpiperidin-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C13H19F3N4O3S — CID 43053029

IUPACN-(1-ethylsulfonylpiperidin-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCCS(=O)(=O)N1CCC(NC(=O)Cn2ccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C13H19F3N4O3S/c1-2-24(22,23)20-7-3-10(4-8-20)17-12(21)9-19-6-5-11(18-19)13(14,15)16/h5-6,10H,2-4,7-9H2,1H3,(H,17,21)
InChIKeyUNAMKOMSZILWJS-UHFFFAOYSA-N
MW368.38 g/mol
LogP0.83
Rot. Bonds5

About N-(1-ethylsulfonylpiperidin-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-(1-ethylsulfonylpiperidin-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 43053029) has the molecular formula C13H19F3N4O3S and a molecular weight of 368.38 g/mol. Its IUPAC name is N-(1-ethylsulfonylpiperidin-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-ethylsulfonylpiperidin-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID43053029
Molecular FormulaC13H19F3N4O3S
Molecular Weight368.38 g/mol
Exact Mass368.11
IUPAC NameN-(1-ethylsulfonylpiperidin-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCCS(=O)(=O)N1CCC(NC(=O)Cn2ccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C13H19F3N4O3S/c1-2-24(22,23)20-7-3-10(4-8-20)17-12(21)9-19-6-5-11(18-19)13(14,15)16/h5-6,10H,2-4,7-9H2,1H3,(H,17,21)
InChIKeyUNAMKOMSZILWJS-UHFFFAOYSA-N
XLogP0.83
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfonylpiperidin-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(1-ethylsulfonylpiperidin-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 43053029) is N-(1-ethylsulfonylpiperidin-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(1-ethylsulfonylpiperidin-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(1-ethylsulfonylpiperidin-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is CCS(=O)(=O)N1CCC(NC(=O)Cn2ccc(C(F)(F)F)n2)CC1.
What is the InChIKey of N-(1-ethylsulfonylpiperidin-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is UNAMKOMSZILWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O3S/c1-2-24(22,23)20-7-3-10(4-8-20)17-12(21)9-19-6-5-11(18-19)13(14,15)16/h5-6,10H,2-4,7-9H2,1H3,(H,17,21).
What are the key properties of N-(1-ethylsulfonylpiperidin-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(1-ethylsulfonylpiperidin-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 368.38 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfonylpiperidin-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 43053029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).