2-(1,4-dimethylpyrazol-5-yl)-6-(trifluoromethyl)piperidine

C11H16F3N3 — CID 112742398

IUPAC2-(1,4-dimethylpyrazol-5-yl)-6-(trifluoromethyl)piperidine
SMILESCc1cnn(C)c1C1CCCC(C(F)(F)F)N1
InChIInChI=1S/C11H16F3N3/c1-7-6-15-17(2)10(7)8-4-3-5-9(16-8)11(12,13)14/h6,8-9,16H,3-5H2,1-2H3
InChIKeyURYYWYNLUVVNTJ-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.47
Rot. Bonds1

About 2-(1,4-dimethylpyrazol-5-yl)-6-(trifluoromethyl)piperidine

2-(1,4-dimethylpyrazol-5-yl)-6-(trifluoromethyl)piperidine (PubChem CID 112742398) has the molecular formula C11H16F3N3 and a molecular weight of 247.26 g/mol. Its IUPAC name is 2-(1,4-dimethylpyrazol-5-yl)-6-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name2-(1,4-dimethylpyrazol-5-yl)-6-(trifluoromethyl)piperidine
PubChem CID112742398
Molecular FormulaC11H16F3N3
Molecular Weight247.26 g/mol
Exact Mass247.13
IUPAC Name2-(1,4-dimethylpyrazol-5-yl)-6-(trifluoromethyl)piperidine
SMILESCc1cnn(C)c1C1CCCC(C(F)(F)F)N1
InChIInChI=1S/C11H16F3N3/c1-7-6-15-17(2)10(7)8-4-3-5-9(16-8)11(12,13)14/h6,8-9,16H,3-5H2,1-2H3
InChIKeyURYYWYNLUVVNTJ-UHFFFAOYSA-N
XLogP2.47
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1,4-dimethylpyrazol-5-yl)-6-(trifluoromethyl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dimethylpyrazol-5-yl)-6-(trifluoromethyl)piperidine?
The IUPAC name of 2-(1,4-dimethylpyrazol-5-yl)-6-(trifluoromethyl)piperidine (CID 112742398) is 2-(1,4-dimethylpyrazol-5-yl)-6-(trifluoromethyl)piperidine.
What is the SMILES notation for 2-(1,4-dimethylpyrazol-5-yl)-6-(trifluoromethyl)piperidine?
The canonical SMILES for 2-(1,4-dimethylpyrazol-5-yl)-6-(trifluoromethyl)piperidine is Cc1cnn(C)c1C1CCCC(C(F)(F)F)N1.
What is the InChIKey of 2-(1,4-dimethylpyrazol-5-yl)-6-(trifluoromethyl)piperidine?
The InChIKey is URYYWYNLUVVNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3/c1-7-6-15-17(2)10(7)8-4-3-5-9(16-8)11(12,13)14/h6,8-9,16H,3-5H2,1-2H3.
What are the key properties of 2-(1,4-dimethylpyrazol-5-yl)-6-(trifluoromethyl)piperidine?
2-(1,4-dimethylpyrazol-5-yl)-6-(trifluoromethyl)piperidine has a molecular weight of 247.26 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dimethylpyrazol-5-yl)-6-(trifluoromethyl)piperidine is sourced from PubChem (CID 112742398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).