3-(4-methyl-1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine

C16H18F3N3O2S — CID 45235820

IUPAC3-(4-methyl-1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine
SMILESCc1cn[nH]c1C1CCCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C16H18F3N3O2S/c1-11-9-20-21-15(11)12-4-3-7-22(10-12)25(23,24)14-6-2-5-13(8-14)16(17,18)19/h2,5-6,8-9,12H,3-4,7,10H2,1H3,(H,20,21)
InChIKeySOFCJRTYKADWCU-UHFFFAOYSA-N
MW373.40 g/mol
LogP3.31
Rot. Bonds3

About 3-(4-methyl-1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine

3-(4-methyl-1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine (PubChem CID 45235820) has the molecular formula C16H18F3N3O2S and a molecular weight of 373.40 g/mol. Its IUPAC name is 3-(4-methyl-1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine.

Molecular Properties

Compound Name3-(4-methyl-1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine
PubChem CID45235820
Molecular FormulaC16H18F3N3O2S
Molecular Weight373.40 g/mol
Exact Mass373.11
IUPAC Name3-(4-methyl-1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine
SMILESCc1cn[nH]c1C1CCCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C16H18F3N3O2S/c1-11-9-20-21-15(11)12-4-3-7-22(10-12)25(23,24)14-6-2-5-13(8-14)16(17,18)19/h2,5-6,8-9,12H,3-4,7,10H2,1H3,(H,20,21)
InChIKeySOFCJRTYKADWCU-UHFFFAOYSA-N
XLogP3.31
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine?
The IUPAC name of 3-(4-methyl-1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine (CID 45235820) is 3-(4-methyl-1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine.
What is the SMILES notation for 3-(4-methyl-1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine?
The canonical SMILES for 3-(4-methyl-1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine is Cc1cn[nH]c1C1CCCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 3-(4-methyl-1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine?
The InChIKey is SOFCJRTYKADWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O2S/c1-11-9-20-21-15(11)12-4-3-7-22(10-12)25(23,24)14-6-2-5-13(8-14)16(17,18)19/h2,5-6,8-9,12H,3-4,7,10H2,1H3,(H,20,21).
What are the key properties of 3-(4-methyl-1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine?
3-(4-methyl-1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine has a molecular weight of 373.40 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine is sourced from PubChem (CID 45235820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).