3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one

C15H18F3N5O3 — CID 123804754

IUPAC3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one
SMILESCc1nc(-n2nccc2C2CCN(C(=O)C(C)(O)C(F)(F)F)CC2)no1
InChIInChI=1S/C15H18F3N5O3/c1-9-20-13(21-26-9)23-11(3-6-19-23)10-4-7-22(8-5-10)12(24)14(2,25)15(16,17)18/h3,6,10,25H,4-5,7-8H2,1-2H3
InChIKeyCPQDCPWVASVRMV-UHFFFAOYSA-N
MW373.34 g/mol
LogP1.58
Rot. Bonds3

About 3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one

3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one (PubChem CID 123804754) has the molecular formula C15H18F3N5O3 and a molecular weight of 373.34 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one
PubChem CID123804754
Molecular FormulaC15H18F3N5O3
Molecular Weight373.34 g/mol
Exact Mass373.14
IUPAC Name3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one
SMILESCc1nc(-n2nccc2C2CCN(C(=O)C(C)(O)C(F)(F)F)CC2)no1
InChIInChI=1S/C15H18F3N5O3/c1-9-20-13(21-26-9)23-11(3-6-19-23)10-4-7-22(8-5-10)12(24)14(2,25)15(16,17)18/h3,6,10,25H,4-5,7-8H2,1-2H3
InChIKeyCPQDCPWVASVRMV-UHFFFAOYSA-N
XLogP1.58
TPSA97.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.34
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one 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 3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one (CID 123804754) is 3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one is Cc1nc(-n2nccc2C2CCN(C(=O)C(C)(O)C(F)(F)F)CC2)no1.
What is the InChIKey of 3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one?
The InChIKey is CPQDCPWVASVRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O3/c1-9-20-13(21-26-9)23-11(3-6-19-23)10-4-7-22(8-5-10)12(24)14(2,25)15(16,17)18/h3,6,10,25H,4-5,7-8H2,1-2H3.
What are the key properties of 3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one?
3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one has a molecular weight of 373.34 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 123804754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).