2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-piperidin-1-yl-2-(1,3-thiazol-2-yl)ethanone

C15H17F3N4OS — CID 142795327

IUPAC2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-piperidin-1-yl-2-(1,3-thiazol-2-yl)ethanone
SMILESCc1cc(C(F)(F)F)nn1C(C(=O)N1CCCCC1)c1nccs1
InChIInChI=1S/C15H17F3N4OS/c1-10-9-11(15(16,17)18)20-22(10)12(13-19-5-8-24-13)14(23)21-6-3-2-4-7-21/h5,8-9,12H,2-4,6-7H2,1H3
InChIKeyBEJVLCIKXLGJES-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.27
Rot. Bonds3

About 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-piperidin-1-yl-2-(1,3-thiazol-2-yl)ethanone

2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-piperidin-1-yl-2-(1,3-thiazol-2-yl)ethanone (PubChem CID 142795327) has the molecular formula C15H17F3N4OS and a molecular weight of 358.39 g/mol. Its IUPAC name is 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-piperidin-1-yl-2-(1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-piperidin-1-yl-2-(1,3-thiazol-2-yl)ethanone
PubChem CID142795327
Molecular FormulaC15H17F3N4OS
Molecular Weight358.39 g/mol
Exact Mass358.11
IUPAC Name2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-piperidin-1-yl-2-(1,3-thiazol-2-yl)ethanone
SMILESCc1cc(C(F)(F)F)nn1C(C(=O)N1CCCCC1)c1nccs1
InChIInChI=1S/C15H17F3N4OS/c1-10-9-11(15(16,17)18)20-22(10)12(13-19-5-8-24-13)14(23)21-6-3-2-4-7-21/h5,8-9,12H,2-4,6-7H2,1H3
InChIKeyBEJVLCIKXLGJES-UHFFFAOYSA-N
XLogP3.27
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-piperidin-1-yl-2-(1,3-thiazol-2-yl)ethanone?
The IUPAC name of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-piperidin-1-yl-2-(1,3-thiazol-2-yl)ethanone (CID 142795327) is 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-piperidin-1-yl-2-(1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-piperidin-1-yl-2-(1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-piperidin-1-yl-2-(1,3-thiazol-2-yl)ethanone is Cc1cc(C(F)(F)F)nn1C(C(=O)N1CCCCC1)c1nccs1.
What is the InChIKey of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-piperidin-1-yl-2-(1,3-thiazol-2-yl)ethanone?
The InChIKey is BEJVLCIKXLGJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4OS/c1-10-9-11(15(16,17)18)20-22(10)12(13-19-5-8-24-13)14(23)21-6-3-2-4-7-21/h5,8-9,12H,2-4,6-7H2,1H3.
What are the key properties of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-piperidin-1-yl-2-(1,3-thiazol-2-yl)ethanone?
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-piperidin-1-yl-2-(1,3-thiazol-2-yl)ethanone has a molecular weight of 358.39 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-piperidin-1-yl-2-(1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 142795327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).