2-hydroxy-1-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone

C12H16F3N3O2 — CID 122633514

IUPAC2-hydroxy-1-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCc1cc(C(F)(F)F)nn1C1CCN(C(=O)CO)CC1
InChIInChI=1S/C12H16F3N3O2/c1-8-6-10(12(13,14)15)16-18(8)9-2-4-17(5-3-9)11(20)7-19/h6,9,19H,2-5,7H2,1H3
InChIKeyMIIUFKAYKGTWQR-UHFFFAOYSA-N
MW291.27 g/mol
LogP1.37
Rot. Bonds2

About 2-hydroxy-1-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone

2-hydroxy-1-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone (PubChem CID 122633514) has the molecular formula C12H16F3N3O2 and a molecular weight of 291.27 g/mol. Its IUPAC name is 2-hydroxy-1-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone
PubChem CID122633514
Molecular FormulaC12H16F3N3O2
Molecular Weight291.27 g/mol
Exact Mass291.12
IUPAC Name2-hydroxy-1-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCc1cc(C(F)(F)F)nn1C1CCN(C(=O)CO)CC1
InChIInChI=1S/C12H16F3N3O2/c1-8-6-10(12(13,14)15)16-18(8)9-2-4-17(5-3-9)11(20)7-19/h6,9,19H,2-5,7H2,1H3
InChIKeyMIIUFKAYKGTWQR-UHFFFAOYSA-N
XLogP1.37
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-hydroxy-1-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone (CID 122633514) is 2-hydroxy-1-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-hydroxy-1-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone is Cc1cc(C(F)(F)F)nn1C1CCN(C(=O)CO)CC1.
What is the InChIKey of 2-hydroxy-1-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone?
The InChIKey is MIIUFKAYKGTWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2/c1-8-6-10(12(13,14)15)16-18(8)9-2-4-17(5-3-9)11(20)7-19/h6,9,19H,2-5,7H2,1H3.
What are the key properties of 2-hydroxy-1-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone?
2-hydroxy-1-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone has a molecular weight of 291.27 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 122633514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).