N-[2-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethyl]methanesulfonamide

C12H19F3N4O2S — CID 71927084

IUPACN-[2-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCN1CCCC(c2cc(C(F)(F)F)n[nH]2)C1
InChIInChI=1S/C12H19F3N4O2S/c1-22(20,21)16-4-6-19-5-2-3-9(8-19)10-7-11(18-17-10)12(13,14)15/h7,9,16H,2-6,8H2,1H3,(H,17,18)
InChIKeyHDXCWEZDSPMLRC-UHFFFAOYSA-N
MW340.37 g/mol
LogP1.16
Rot. Bonds5

About N-[2-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethyl]methanesulfonamide

N-[2-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethyl]methanesulfonamide (PubChem CID 71927084) has the molecular formula C12H19F3N4O2S and a molecular weight of 340.37 g/mol. Its IUPAC name is N-[2-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethyl]methanesulfonamide
PubChem CID71927084
Molecular FormulaC12H19F3N4O2S
Molecular Weight340.37 g/mol
Exact Mass340.12
IUPAC NameN-[2-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCN1CCCC(c2cc(C(F)(F)F)n[nH]2)C1
InChIInChI=1S/C12H19F3N4O2S/c1-22(20,21)16-4-6-19-5-2-3-9(8-19)10-7-11(18-17-10)12(13,14)15/h7,9,16H,2-6,8H2,1H3,(H,17,18)
InChIKeyHDXCWEZDSPMLRC-UHFFFAOYSA-N
XLogP1.16
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethyl]methanesulfonamide (CID 71927084) is N-[2-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethyl]methanesulfonamide is CS(=O)(=O)NCCN1CCCC(c2cc(C(F)(F)F)n[nH]2)C1.
What is the InChIKey of N-[2-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethyl]methanesulfonamide?
The InChIKey is HDXCWEZDSPMLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4O2S/c1-22(20,21)16-4-6-19-5-2-3-9(8-19)10-7-11(18-17-10)12(13,14)15/h7,9,16H,2-6,8H2,1H3,(H,17,18).
What are the key properties of N-[2-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethyl]methanesulfonamide?
N-[2-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethyl]methanesulfonamide has a molecular weight of 340.37 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 71927084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).