N-[2-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethyl]methanesulfonamide

C12H19F3N4O2S — CID 122138763

IUPACN-[2-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCN1CCCC(n2ccc(C(F)(F)F)n2)C1
InChIInChI=1S/C12H19F3N4O2S/c1-22(20,21)16-5-8-18-6-2-3-10(9-18)19-7-4-11(17-19)12(13,14)15/h4,7,10,16H,2-3,5-6,8-9H2,1H3
InChIKeyWWWIFDJMCVBVTH-UHFFFAOYSA-N
MW340.37 g/mol
LogP1.09
Rot. Bonds5

About N-[2-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethyl]methanesulfonamide

N-[2-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethyl]methanesulfonamide (PubChem CID 122138763) has the molecular formula C12H19F3N4O2S and a molecular weight of 340.37 g/mol. Its IUPAC name is N-[2-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethyl]methanesulfonamide
PubChem CID122138763
Molecular FormulaC12H19F3N4O2S
Molecular Weight340.37 g/mol
Exact Mass340.12
IUPAC NameN-[2-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCN1CCCC(n2ccc(C(F)(F)F)n2)C1
InChIInChI=1S/C12H19F3N4O2S/c1-22(20,21)16-5-8-18-6-2-3-10(9-18)19-7-4-11(17-19)12(13,14)15/h4,7,10,16H,2-3,5-6,8-9H2,1H3
InChIKeyWWWIFDJMCVBVTH-UHFFFAOYSA-N
XLogP1.09
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethyl]methanesulfonamide (CID 122138763) is N-[2-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethyl]methanesulfonamide is CS(=O)(=O)NCCN1CCCC(n2ccc(C(F)(F)F)n2)C1.
What is the InChIKey of N-[2-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethyl]methanesulfonamide?
The InChIKey is WWWIFDJMCVBVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4O2S/c1-22(20,21)16-5-8-18-6-2-3-10(9-18)19-7-4-11(17-19)12(13,14)15/h4,7,10,16H,2-3,5-6,8-9H2,1H3.
What are the key properties of N-[2-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethyl]methanesulfonamide?
N-[2-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethyl]methanesulfonamide has a molecular weight of 340.37 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 122138763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).