2-(1-propylpyrazol-4-yl)-4-(trifluoromethyl)piperidine

C12H18F3N3 — CID 66328331

IUPAC2-(1-propylpyrazol-4-yl)-4-(trifluoromethyl)piperidine
SMILESCCCn1cc(C2CC(C(F)(F)F)CCN2)cn1
InChIInChI=1S/C12H18F3N3/c1-2-5-18-8-9(7-17-18)11-6-10(3-4-16-11)12(13,14)15/h7-8,10-11,16H,2-6H2,1H3
InChIKeyFXOACFVXWJEGOT-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.90
Rot. Bonds3

About 2-(1-propylpyrazol-4-yl)-4-(trifluoromethyl)piperidine

2-(1-propylpyrazol-4-yl)-4-(trifluoromethyl)piperidine (PubChem CID 66328331) has the molecular formula C12H18F3N3 and a molecular weight of 261.29 g/mol. Its IUPAC name is 2-(1-propylpyrazol-4-yl)-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name2-(1-propylpyrazol-4-yl)-4-(trifluoromethyl)piperidine
PubChem CID66328331
Molecular FormulaC12H18F3N3
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC Name2-(1-propylpyrazol-4-yl)-4-(trifluoromethyl)piperidine
SMILESCCCn1cc(C2CC(C(F)(F)F)CCN2)cn1
InChIInChI=1S/C12H18F3N3/c1-2-5-18-8-9(7-17-18)11-6-10(3-4-16-11)12(13,14)15/h7-8,10-11,16H,2-6H2,1H3
InChIKeyFXOACFVXWJEGOT-UHFFFAOYSA-N
XLogP2.90
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1-propylpyrazol-4-yl)-4-(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-propylpyrazol-4-yl)-4-(trifluoromethyl)piperidine?
The IUPAC name of 2-(1-propylpyrazol-4-yl)-4-(trifluoromethyl)piperidine (CID 66328331) is 2-(1-propylpyrazol-4-yl)-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 2-(1-propylpyrazol-4-yl)-4-(trifluoromethyl)piperidine?
The canonical SMILES for 2-(1-propylpyrazol-4-yl)-4-(trifluoromethyl)piperidine is CCCn1cc(C2CC(C(F)(F)F)CCN2)cn1.
What is the InChIKey of 2-(1-propylpyrazol-4-yl)-4-(trifluoromethyl)piperidine?
The InChIKey is FXOACFVXWJEGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3/c1-2-5-18-8-9(7-17-18)11-6-10(3-4-16-11)12(13,14)15/h7-8,10-11,16H,2-6H2,1H3.
What are the key properties of 2-(1-propylpyrazol-4-yl)-4-(trifluoromethyl)piperidine?
2-(1-propylpyrazol-4-yl)-4-(trifluoromethyl)piperidine has a molecular weight of 261.29 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propylpyrazol-4-yl)-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 66328331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).