2-[4-[1-propyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine

C18H20F6N4O — CID 71495405

IUPAC2-[4-[1-propyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine
SMILESCCCn1nc(C(F)(F)F)cc1OC1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C18H20F6N4O/c1-2-7-28-16(10-14(26-28)18(22,23)24)29-13-5-8-27(9-6-13)15-4-3-12(11-25-15)17(19,20)21/h3-4,10-11,13H,2,5-9H2,1H3
InChIKeyCHFUUIWHMNJKDP-UHFFFAOYSA-N
MW422.37 g/mol
LogP4.77
Rot. Bonds5

About 2-[4-[1-propyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine

2-[4-[1-propyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine (PubChem CID 71495405) has the molecular formula C18H20F6N4O and a molecular weight of 422.37 g/mol. Its IUPAC name is 2-[4-[1-propyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[4-[1-propyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine
PubChem CID71495405
Molecular FormulaC18H20F6N4O
Molecular Weight422.37 g/mol
Exact Mass422.15
IUPAC Name2-[4-[1-propyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine
SMILESCCCn1nc(C(F)(F)F)cc1OC1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C18H20F6N4O/c1-2-7-28-16(10-14(26-28)18(22,23)24)29-13-5-8-27(9-6-13)15-4-3-12(11-25-15)17(19,20)21/h3-4,10-11,13H,2,5-9H2,1H3
InChIKeyCHFUUIWHMNJKDP-UHFFFAOYSA-N
XLogP4.77
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.37
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-[1-propyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine 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-[4-[1-propyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-[4-[1-propyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine (CID 71495405) is 2-[4-[1-propyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[4-[1-propyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[4-[1-propyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine is CCCn1nc(C(F)(F)F)cc1OC1CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 2-[4-[1-propyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine?
The InChIKey is CHFUUIWHMNJKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F6N4O/c1-2-7-28-16(10-14(26-28)18(22,23)24)29-13-5-8-27(9-6-13)15-4-3-12(11-25-15)17(19,20)21/h3-4,10-11,13H,2,5-9H2,1H3.
What are the key properties of 2-[4-[1-propyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine?
2-[4-[1-propyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine has a molecular weight of 422.37 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-propyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 71495405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).