1-[4-(2-tert-butylpyrazol-3-yl)piperidin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one

C16H24F3N3O2 — CID 118166967

IUPAC1-[4-(2-tert-butylpyrazol-3-yl)piperidin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one
SMILESCC(C)(C)n1nccc1C1CCN(C(=O)C(C)(O)C(F)(F)F)CC1
InChIInChI=1S/C16H24F3N3O2/c1-14(2,3)22-12(5-8-20-22)11-6-9-21(10-7-11)13(23)15(4,24)16(17,18)19/h5,8,11,24H,6-7,9-10H2,1-4H3
InChIKeyCODLIELDNKLRKH-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.66
Rot. Bonds2

About 1-[4-(2-tert-butylpyrazol-3-yl)piperidin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one

1-[4-(2-tert-butylpyrazol-3-yl)piperidin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one (PubChem CID 118166967) has the molecular formula C16H24F3N3O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 1-[4-(2-tert-butylpyrazol-3-yl)piperidin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-(2-tert-butylpyrazol-3-yl)piperidin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one
PubChem CID118166967
Molecular FormulaC16H24F3N3O2
Molecular Weight347.38 g/mol
Exact Mass347.18
IUPAC Name1-[4-(2-tert-butylpyrazol-3-yl)piperidin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one
SMILESCC(C)(C)n1nccc1C1CCN(C(=O)C(C)(O)C(F)(F)F)CC1
InChIInChI=1S/C16H24F3N3O2/c1-14(2,3)22-12(5-8-20-22)11-6-9-21(10-7-11)13(23)15(4,24)16(17,18)19/h5,8,11,24H,6-7,9-10H2,1-4H3
InChIKeyCODLIELDNKLRKH-UHFFFAOYSA-N
XLogP2.66
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-(2-tert-butylpyrazol-3-yl)piperidin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-tert-butylpyrazol-3-yl)piperidin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one?
The IUPAC name of 1-[4-(2-tert-butylpyrazol-3-yl)piperidin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one (CID 118166967) is 1-[4-(2-tert-butylpyrazol-3-yl)piperidin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-(2-tert-butylpyrazol-3-yl)piperidin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one?
The canonical SMILES for 1-[4-(2-tert-butylpyrazol-3-yl)piperidin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one is CC(C)(C)n1nccc1C1CCN(C(=O)C(C)(O)C(F)(F)F)CC1.
What is the InChIKey of 1-[4-(2-tert-butylpyrazol-3-yl)piperidin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one?
The InChIKey is CODLIELDNKLRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N3O2/c1-14(2,3)22-12(5-8-20-22)11-6-9-21(10-7-11)13(23)15(4,24)16(17,18)19/h5,8,11,24H,6-7,9-10H2,1-4H3.
What are the key properties of 1-[4-(2-tert-butylpyrazol-3-yl)piperidin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one?
1-[4-(2-tert-butylpyrazol-3-yl)piperidin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one has a molecular weight of 347.38 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-tert-butylpyrazol-3-yl)piperidin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one is sourced from PubChem (CID 118166967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).