3-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propane-1-sulfonamide

C12H19F3N4O2S — CID 71927087

IUPAC3-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propane-1-sulfonamide
SMILESNS(=O)(=O)CCCN1CCCC(c2cc(C(F)(F)F)n[nH]2)C1
InChIInChI=1S/C12H19F3N4O2S/c13-12(14,15)11-7-10(17-18-11)9-3-1-4-19(8-9)5-2-6-22(16,20)21/h7,9H,1-6,8H2,(H,17,18)(H2,16,20,21)
InChIKeyVKGMHYVIBLPUOK-UHFFFAOYSA-N
MW340.37 g/mol
LogP1.29
Rot. Bonds5

About 3-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propane-1-sulfonamide

3-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propane-1-sulfonamide (PubChem CID 71927087) has the molecular formula C12H19F3N4O2S and a molecular weight of 340.37 g/mol. Its IUPAC name is 3-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propane-1-sulfonamide
PubChem CID71927087
Molecular FormulaC12H19F3N4O2S
Molecular Weight340.37 g/mol
Exact Mass340.12
IUPAC Name3-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propane-1-sulfonamide
SMILESNS(=O)(=O)CCCN1CCCC(c2cc(C(F)(F)F)n[nH]2)C1
InChIInChI=1S/C12H19F3N4O2S/c13-12(14,15)11-7-10(17-18-11)9-3-1-4-19(8-9)5-2-6-22(16,20)21/h7,9H,1-6,8H2,(H,17,18)(H2,16,20,21)
InChIKeyVKGMHYVIBLPUOK-UHFFFAOYSA-N
XLogP1.29
TPSA92.08 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 ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propyl]methanesulfonamide
CID 71926947
3-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propane-1-sulfonamide
CID 71927049
3-(5-methyl-1H-pyrazol-3-yl)-1-(3-methylsulfonylpropyl)piperidine
CID 71927051
3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperidine
CID 66509752
N,N-Dimethyl-3-[4-(1H-pyrazol-3-YL)piperidin-1-YL]propane-1-sulfonamide
CID 91828512
1-methyl-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine
CID 83404613
1-propan-2-yl-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine
CID 121458459
2-methylsulfanyl-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 71926900
2-[[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pentanedinitrile
CID 71927027
N-[2-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethyl]methanesulfonamide
CID 71927084
1-(3-methylsulfonylpropyl)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine
CID 72121354
1-propan-2-yl-4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine
CID 73439295

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propane-1-sulfonamide?
The IUPAC name of 3-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propane-1-sulfonamide (CID 71927087) is 3-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propane-1-sulfonamide.
What is the SMILES notation for 3-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propane-1-sulfonamide?
The canonical SMILES for 3-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propane-1-sulfonamide is NS(=O)(=O)CCCN1CCCC(c2cc(C(F)(F)F)n[nH]2)C1.
What is the InChIKey of 3-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propane-1-sulfonamide?
The InChIKey is VKGMHYVIBLPUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4O2S/c13-12(14,15)11-7-10(17-18-11)9-3-1-4-19(8-9)5-2-6-22(16,20)21/h7,9H,1-6,8H2,(H,17,18)(H2,16,20,21).
What are the key properties of 3-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propane-1-sulfonamide?
3-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propane-1-sulfonamide has a molecular weight of 340.37 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propane-1-sulfonamide is sourced from PubChem (CID 71927087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).