4-(2-propan-2-ylpyrazol-3-yl)-1-(2,2,2-trifluoroethyl)piperidine

C13H20F3N3 — CID 141405129

IUPAC4-(2-propan-2-ylpyrazol-3-yl)-1-(2,2,2-trifluoroethyl)piperidine
SMILESCC(C)n1nccc1C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H20F3N3/c1-10(2)19-12(3-6-17-19)11-4-7-18(8-5-11)9-13(14,15)16/h3,6,10-11H,4-5,7-9H2,1-2H3
InChIKeyNILWAHZBOOYUCR-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.21
Rot. Bonds3

About 4-(2-propan-2-ylpyrazol-3-yl)-1-(2,2,2-trifluoroethyl)piperidine

4-(2-propan-2-ylpyrazol-3-yl)-1-(2,2,2-trifluoroethyl)piperidine (PubChem CID 141405129) has the molecular formula C13H20F3N3 and a molecular weight of 275.32 g/mol. Its IUPAC name is 4-(2-propan-2-ylpyrazol-3-yl)-1-(2,2,2-trifluoroethyl)piperidine.

Molecular Properties

Compound Name4-(2-propan-2-ylpyrazol-3-yl)-1-(2,2,2-trifluoroethyl)piperidine
PubChem CID141405129
Molecular FormulaC13H20F3N3
Molecular Weight275.32 g/mol
Exact Mass275.16
IUPAC Name4-(2-propan-2-ylpyrazol-3-yl)-1-(2,2,2-trifluoroethyl)piperidine
SMILESCC(C)n1nccc1C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H20F3N3/c1-10(2)19-12(3-6-17-19)11-4-7-18(8-5-11)9-13(14,15)16/h3,6,10-11H,4-5,7-9H2,1-2H3
InChIKeyNILWAHZBOOYUCR-UHFFFAOYSA-N
XLogP3.21
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(2-propan-2-ylpyrazol-3-yl)-1-(2,2,2-trifluoroethyl)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 4-(2-propan-2-ylpyrazol-3-yl)-1-(2,2,2-trifluoroethyl)piperidine?
The IUPAC name of 4-(2-propan-2-ylpyrazol-3-yl)-1-(2,2,2-trifluoroethyl)piperidine (CID 141405129) is 4-(2-propan-2-ylpyrazol-3-yl)-1-(2,2,2-trifluoroethyl)piperidine.
What is the SMILES notation for 4-(2-propan-2-ylpyrazol-3-yl)-1-(2,2,2-trifluoroethyl)piperidine?
The canonical SMILES for 4-(2-propan-2-ylpyrazol-3-yl)-1-(2,2,2-trifluoroethyl)piperidine is CC(C)n1nccc1C1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 4-(2-propan-2-ylpyrazol-3-yl)-1-(2,2,2-trifluoroethyl)piperidine?
The InChIKey is NILWAHZBOOYUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3/c1-10(2)19-12(3-6-17-19)11-4-7-18(8-5-11)9-13(14,15)16/h3,6,10-11H,4-5,7-9H2,1-2H3.
What are the key properties of 4-(2-propan-2-ylpyrazol-3-yl)-1-(2,2,2-trifluoroethyl)piperidine?
4-(2-propan-2-ylpyrazol-3-yl)-1-(2,2,2-trifluoroethyl)piperidine has a molecular weight of 275.32 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propan-2-ylpyrazol-3-yl)-1-(2,2,2-trifluoroethyl)piperidine is sourced from PubChem (CID 141405129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).