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

C17H20F3N5O2 — CID 118166907

IUPAC(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(5-methylpyrazin-2-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one
SMILESCc1cnc(-n2nccc2C2CCN(C(=O)[C@@](C)(O)C(F)(F)F)CC2)cn1
InChIInChI=1S/C17H20F3N5O2/c1-11-9-22-14(10-21-11)25-13(3-6-23-25)12-4-7-24(8-5-12)15(26)16(2,27)17(18,19)20/h3,6,9-10,12,27H,4-5,7-8H2,1-2H3/t16-/m1/s1
InChIKeyALTKGEZPXLXJGI-MRXNPFEDSA-N
MW383.37 g/mol
LogP1.99
Rot. Bonds3

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

(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(5-methylpyrazin-2-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one (PubChem CID 118166907) has the molecular formula C17H20F3N5O2 and a molecular weight of 383.37 g/mol. Its IUPAC name is (2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(5-methylpyrazin-2-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(5-methylpyrazin-2-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one
PubChem CID118166907
Molecular FormulaC17H20F3N5O2
Molecular Weight383.37 g/mol
Exact Mass383.16
IUPAC Name(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(5-methylpyrazin-2-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one
SMILESCc1cnc(-n2nccc2C2CCN(C(=O)[C@@](C)(O)C(F)(F)F)CC2)cn1
InChIInChI=1S/C17H20F3N5O2/c1-11-9-22-14(10-21-11)25-13(3-6-23-25)12-4-7-24(8-5-12)15(26)16(2,27)17(18,19)20/h3,6,9-10,12,27H,4-5,7-8H2,1-2H3/t16-/m1/s1
InChIKeyALTKGEZPXLXJGI-MRXNPFEDSA-N
XLogP1.99
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(5-methylpyrazin-2-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of (2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(5-methylpyrazin-2-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one (CID 118166907) is (2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(5-methylpyrazin-2-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(5-methylpyrazin-2-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for (2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(5-methylpyrazin-2-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one is Cc1cnc(-n2nccc2C2CCN(C(=O)[C@@](C)(O)C(F)(F)F)CC2)cn1.
What is the InChIKey of (2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(5-methylpyrazin-2-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one?
The InChIKey is ALTKGEZPXLXJGI-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H20F3N5O2/c1-11-9-22-14(10-21-11)25-13(3-6-23-25)12-4-7-24(8-5-12)15(26)16(2,27)17(18,19)20/h3,6,9-10,12,27H,4-5,7-8H2,1-2H3/t16-/m1/s1.
What are the key properties of (2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(5-methylpyrazin-2-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one?
(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(5-methylpyrazin-2-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one has a molecular weight of 383.37 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(5-methylpyrazin-2-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 118166907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).