2-(2-phenylpyrazol-3-yl)-4-(trifluoromethyl)piperidine

C15H16F3N3 — CID 107331187

IUPAC2-(2-phenylpyrazol-3-yl)-4-(trifluoromethyl)piperidine
SMILESFC(F)(F)C1CCNC(c2ccnn2-c2ccccc2)C1
InChIInChI=1S/C15H16F3N3/c16-15(17,18)11-6-8-19-13(10-11)14-7-9-20-21(14)12-4-2-1-3-5-12/h1-5,7,9,11,13,19H,6,8,10H2
InChIKeyUSGSNUSGHKLYLZ-UHFFFAOYSA-N
MW295.31 g/mol
LogP3.48
Rot. Bonds2

About 2-(2-phenylpyrazol-3-yl)-4-(trifluoromethyl)piperidine

2-(2-phenylpyrazol-3-yl)-4-(trifluoromethyl)piperidine (PubChem CID 107331187) has the molecular formula C15H16F3N3 and a molecular weight of 295.31 g/mol. Its IUPAC name is 2-(2-phenylpyrazol-3-yl)-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name2-(2-phenylpyrazol-3-yl)-4-(trifluoromethyl)piperidine
PubChem CID107331187
Molecular FormulaC15H16F3N3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC Name2-(2-phenylpyrazol-3-yl)-4-(trifluoromethyl)piperidine
SMILESFC(F)(F)C1CCNC(c2ccnn2-c2ccccc2)C1
InChIInChI=1S/C15H16F3N3/c16-15(17,18)11-6-8-19-13(10-11)14-7-9-20-21(14)12-4-2-1-3-5-12/h1-5,7,9,11,13,19H,6,8,10H2
InChIKeyUSGSNUSGHKLYLZ-UHFFFAOYSA-N
XLogP3.48
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylpyrazol-3-yl)-4-(trifluoromethyl)piperidine?
The IUPAC name of 2-(2-phenylpyrazol-3-yl)-4-(trifluoromethyl)piperidine (CID 107331187) is 2-(2-phenylpyrazol-3-yl)-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 2-(2-phenylpyrazol-3-yl)-4-(trifluoromethyl)piperidine?
The canonical SMILES for 2-(2-phenylpyrazol-3-yl)-4-(trifluoromethyl)piperidine is FC(F)(F)C1CCNC(c2ccnn2-c2ccccc2)C1.
What is the InChIKey of 2-(2-phenylpyrazol-3-yl)-4-(trifluoromethyl)piperidine?
The InChIKey is USGSNUSGHKLYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3/c16-15(17,18)11-6-8-19-13(10-11)14-7-9-20-21(14)12-4-2-1-3-5-12/h1-5,7,9,11,13,19H,6,8,10H2.
What are the key properties of 2-(2-phenylpyrazol-3-yl)-4-(trifluoromethyl)piperidine?
2-(2-phenylpyrazol-3-yl)-4-(trifluoromethyl)piperidine has a molecular weight of 295.31 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylpyrazol-3-yl)-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 107331187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).