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

C16H19F3N4O2S — CID 123615370

IUPAC3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(2-methyl-1,3-thiazol-5-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one
SMILESCc1ncc(-n2nccc2C2CCN(C(=O)C(C)(O)C(F)(F)F)CC2)s1
InChIInChI=1S/C16H19F3N4O2S/c1-10-20-9-13(26-10)23-12(3-6-21-23)11-4-7-22(8-5-11)14(24)15(2,25)16(17,18)19/h3,6,9,11,25H,4-5,7-8H2,1-2H3
InChIKeyUHFLDXBKXQQXOZ-UHFFFAOYSA-N
MW388.42 g/mol
LogP2.66
Rot. Bonds3

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

3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(2-methyl-1,3-thiazol-5-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one (PubChem CID 123615370) has the molecular formula C16H19F3N4O2S and a molecular weight of 388.42 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(2-methyl-1,3-thiazol-5-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(2-methyl-1,3-thiazol-5-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one
PubChem CID123615370
Molecular FormulaC16H19F3N4O2S
Molecular Weight388.42 g/mol
Exact Mass388.12
IUPAC Name3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(2-methyl-1,3-thiazol-5-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one
SMILESCc1ncc(-n2nccc2C2CCN(C(=O)C(C)(O)C(F)(F)F)CC2)s1
InChIInChI=1S/C16H19F3N4O2S/c1-10-20-9-13(26-10)23-12(3-6-21-23)11-4-7-22(8-5-11)14(24)15(2,25)16(17,18)19/h3,6,9,11,25H,4-5,7-8H2,1-2H3
InChIKeyUHFLDXBKXQQXOZ-UHFFFAOYSA-N
XLogP2.66
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(5-methyl-1,3-thiazol-2-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one
CID 122643893
(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(4-methylphenyl)pyrazol-3-yl]piperidin-1-yl]propan-1-one
CID 91810364
3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(2-methylphenyl)pyrazol-3-yl]piperidin-1-yl]propan-1-one
CID 118167161
3,3,3-trifluoro-1-[4-[2-(4-fluorophenyl)pyrazol-3-yl]piperidin-1-yl]-2-hydroxy-2-methylpropan-1-one
CID 118167184
3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(4-methyl-1,3-thiazol-2-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one
CID 118167110
(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(2-methyl-3H-pyrrol-5-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one
CID 122643895
3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]piperidin-1-yl]propan-1-one
CID 118166849
3,3,3-trifluoro-2-hydroxy-1-[4-[2-(4-methoxyphenyl)pyrazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 118167076
(2R)-1-[4-[2-(3-chlorophenyl)pyrazol-3-yl]piperidin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one
CID 118182694
(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperidin-1-yl]propan-1-one
CID 118167202
3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one
CID 118167016
(2R)-1-[4-[2-(3,5-difluoro-2-pyridinyl)pyrazol-3-yl]-3-methylidenepiperidin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one
CID 162595840

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(2-methyl-1,3-thiazol-5-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-(2-methyl-1,3-thiazol-5-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one (CID 123615370) is 3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(2-methyl-1,3-thiazol-5-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-(2-methyl-1,3-thiazol-5-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-(2-methyl-1,3-thiazol-5-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one is Cc1ncc(-n2nccc2C2CCN(C(=O)C(C)(O)C(F)(F)F)CC2)s1.
What is the InChIKey of 3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(2-methyl-1,3-thiazol-5-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one?
The InChIKey is UHFLDXBKXQQXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4O2S/c1-10-20-9-13(26-10)23-12(3-6-21-23)11-4-7-22(8-5-11)14(24)15(2,25)16(17,18)19/h3,6,9,11,25H,4-5,7-8H2,1-2H3.
What are the key properties of 3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(2-methyl-1,3-thiazol-5-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one?
3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(2-methyl-1,3-thiazol-5-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one has a molecular weight of 388.42 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(2-methyl-1,3-thiazol-5-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 123615370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).