4-(1-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine

C16H18F3N3O2S — CID 122162078

IUPAC4-(1-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine
SMILESCn1ccc(C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)n1
InChIInChI=1S/C16H18F3N3O2S/c1-21-9-8-14(20-21)12-6-10-22(11-7-12)25(23,24)15-5-3-2-4-13(15)16(17,18)19/h2-5,8-9,12H,6-7,10-11H2,1H3
InChIKeyGBAMJQCKGVPUCM-UHFFFAOYSA-N
MW373.40 g/mol
LogP3.01
Rot. Bonds3

About 4-(1-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine

4-(1-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine (PubChem CID 122162078) has the molecular formula C16H18F3N3O2S and a molecular weight of 373.40 g/mol. Its IUPAC name is 4-(1-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine.

Molecular Properties

Compound Name4-(1-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine
PubChem CID122162078
Molecular FormulaC16H18F3N3O2S
Molecular Weight373.40 g/mol
Exact Mass373.11
IUPAC Name4-(1-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine
SMILESCn1ccc(C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)n1
InChIInChI=1S/C16H18F3N3O2S/c1-21-9-8-14(20-21)12-6-10-22(11-7-12)25(23,24)15-5-3-2-4-13(15)16(17,18)19/h2-5,8-9,12H,6-7,10-11H2,1H3
InChIKeyGBAMJQCKGVPUCM-UHFFFAOYSA-N
XLogP3.01
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine?
The IUPAC name of 4-(1-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine (CID 122162078) is 4-(1-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine.
What is the SMILES notation for 4-(1-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine?
The canonical SMILES for 4-(1-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine is Cn1ccc(C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)n1.
What is the InChIKey of 4-(1-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine?
The InChIKey is GBAMJQCKGVPUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O2S/c1-21-9-8-14(20-21)12-6-10-22(11-7-12)25(23,24)15-5-3-2-4-13(15)16(17,18)19/h2-5,8-9,12H,6-7,10-11H2,1H3.
What are the key properties of 4-(1-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine?
4-(1-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine has a molecular weight of 373.40 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine is sourced from PubChem (CID 122162078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).