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

C16H16F6N4O — CID 59356408

IUPAC2-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine
SMILESCn1nc(C(F)(F)F)cc1OC1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C16H16F6N4O/c1-25-14(8-12(24-25)16(20,21)22)27-11-4-6-26(7-5-11)13-3-2-10(9-23-13)15(17,18)19/h2-3,8-9,11H,4-7H2,1H3
InChIKeyXOAFKMWRRIDCQF-UHFFFAOYSA-N
MW394.32 g/mol
LogP3.90
Rot. Bonds3

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

2-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine (PubChem CID 59356408) has the molecular formula C16H16F6N4O and a molecular weight of 394.32 g/mol. Its IUPAC name is 2-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine
PubChem CID59356408
Molecular FormulaC16H16F6N4O
Molecular Weight394.32 g/mol
Exact Mass394.12
IUPAC Name2-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine
SMILESCn1nc(C(F)(F)F)cc1OC1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C16H16F6N4O/c1-25-14(8-12(24-25)16(20,21)22)27-11-4-6-26(7-5-11)13-3-2-10(9-23-13)15(17,18)19/h2-3,8-9,11H,4-7H2,1H3
InChIKeyXOAFKMWRRIDCQF-UHFFFAOYSA-N
XLogP3.90
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.32
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-[1-methyl-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-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine (CID 59356408) is 2-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine is Cn1nc(C(F)(F)F)cc1OC1CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 2-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine?
The InChIKey is XOAFKMWRRIDCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F6N4O/c1-25-14(8-12(24-25)16(20,21)22)27-11-4-6-26(7-5-11)13-3-2-10(9-23-13)15(17,18)19/h2-3,8-9,11H,4-7H2,1H3.
What are the key properties of 2-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine?
2-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine has a molecular weight of 394.32 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 59356408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).