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

C19H22F3N3O2 — CID 118167161

IUPAC3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(2-methylphenyl)pyrazol-3-yl]piperidin-1-yl]propan-1-one
SMILESCc1ccccc1-n1nccc1C1CCN(C(=O)C(C)(O)C(F)(F)F)CC1
InChIInChI=1S/C19H22F3N3O2/c1-13-5-3-4-6-15(13)25-16(7-10-23-25)14-8-11-24(12-9-14)17(26)18(2,27)19(20,21)22/h3-7,10,14,27H,8-9,11-12H2,1-2H3
InChIKeyZDUWUXFORGEDFX-UHFFFAOYSA-N
MW381.40 g/mol
LogP3.20
Rot. Bonds3

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

3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(2-methylphenyl)pyrazol-3-yl]piperidin-1-yl]propan-1-one (PubChem CID 118167161) has the molecular formula C19H22F3N3O2 and a molecular weight of 381.40 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(2-methylphenyl)pyrazol-3-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(2-methylphenyl)pyrazol-3-yl]piperidin-1-yl]propan-1-one
PubChem CID118167161
Molecular FormulaC19H22F3N3O2
Molecular Weight381.40 g/mol
Exact Mass381.17
IUPAC Name3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(2-methylphenyl)pyrazol-3-yl]piperidin-1-yl]propan-1-one
SMILESCc1ccccc1-n1nccc1C1CCN(C(=O)C(C)(O)C(F)(F)F)CC1
InChIInChI=1S/C19H22F3N3O2/c1-13-5-3-4-6-15(13)25-16(7-10-23-25)14-8-11-24(12-9-14)17(26)18(2,27)19(20,21)22/h3-7,10,14,27H,8-9,11-12H2,1-2H3
InChIKeyZDUWUXFORGEDFX-UHFFFAOYSA-N
XLogP3.20
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(2-methylphenyl)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-methylphenyl)pyrazol-3-yl]piperidin-1-yl]propan-1-one (CID 118167161) is 3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(2-methylphenyl)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-methylphenyl)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-methylphenyl)pyrazol-3-yl]piperidin-1-yl]propan-1-one is Cc1ccccc1-n1nccc1C1CCN(C(=O)C(C)(O)C(F)(F)F)CC1.
What is the InChIKey of 3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(2-methylphenyl)pyrazol-3-yl]piperidin-1-yl]propan-1-one?
The InChIKey is ZDUWUXFORGEDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O2/c1-13-5-3-4-6-15(13)25-16(7-10-23-25)14-8-11-24(12-9-14)17(26)18(2,27)19(20,21)22/h3-7,10,14,27H,8-9,11-12H2,1-2H3.
What are the key properties of 3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(2-methylphenyl)pyrazol-3-yl]piperidin-1-yl]propan-1-one?
3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(2-methylphenyl)pyrazol-3-yl]piperidin-1-yl]propan-1-one has a molecular weight of 381.40 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(2-methylphenyl)pyrazol-3-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 118167161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).