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

C19H22F3N3O2 — CID 91810364

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

(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(4-methylphenyl)pyrazol-3-yl]piperidin-1-yl]propan-1-one (PubChem CID 91810364) has the molecular formula C19H22F3N3O2 and a molecular weight of 381.40 g/mol. Its IUPAC name is (2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(4-methylphenyl)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-(4-methylphenyl)pyrazol-3-yl]piperidin-1-yl]propan-1-one
• PubChem CID: 91810364
• Molecular Formula: C19H22F3N3O2
• Molecular Weight: 381.40 g/mol
• Exact Mass: 381.17
• IUPAC Name: (2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(4-methylphenyl)pyrazol-3-yl]piperidin-1-yl]propan-1-one
• SMILES: Cc1ccc(-n2nccc2C2CCN(C(=O)[C@@](C)(O)C(F)(F)F)CC2)cc1
• InChI: InChI=1S/C19H22F3N3O2/c1-13-3-5-15(6-4-13)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/t18-/m1/s1
• InChIKey: RNMHKRPUPHJXGO-GOSISDBHSA-N
• XLogP: 3.20
• TPSA: 58.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.40
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(4-methylphenyl)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-(4-methylphenyl)pyrazol-3-yl]piperidin-1-yl]propan-1-one (CID 91810364) is (2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(4-methylphenyl)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-(4-methylphenyl)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-(4-methylphenyl)pyrazol-3-yl]piperidin-1-yl]propan-1-one is Cc1ccc(-n2nccc2C2CCN(C(=O)[C@@](C)(O)C(F)(F)F)CC2)cc1.

What is the InChIKey of (2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(4-methylphenyl)pyrazol-3-yl]piperidin-1-yl]propan-1-one?

The InChIKey is RNMHKRPUPHJXGO-GOSISDBHSA-N. The full InChI is InChI=1S/C19H22F3N3O2/c1-13-3-5-15(6-4-13)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/t18-/m1/s1.

What are the key properties of (2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(4-methylphenyl)pyrazol-3-yl]piperidin-1-yl]propan-1-one?

(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(4-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 (2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(4-methylphenyl)pyrazol-3-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 91810364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).