1-(2,5-dimethylpyrazol-3-yl)-3-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]piperidin-2-one

C17H24F3N5O2 — CID 75475434

IUPAC1-(2,5-dimethylpyrazol-3-yl)-3-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]piperidin-2-one
SMILESCc1cc(N2CCCC(N3CCN(C(=O)CC(F)(F)F)CC3)C2=O)n(C)n1
InChIInChI=1S/C17H24F3N5O2/c1-12-10-14(22(2)21-12)25-5-3-4-13(16(25)27)23-6-8-24(9-7-23)15(26)11-17(18,19)20/h10,13H,3-9,11H2,1-2H3
InChIKeyODPABPXPHWSAGF-UHFFFAOYSA-N
MW387.41 g/mol
LogP1.32
Rot. Bonds3

About 1-(2,5-dimethylpyrazol-3-yl)-3-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]piperidin-2-one

1-(2,5-dimethylpyrazol-3-yl)-3-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]piperidin-2-one (PubChem CID 75475434) has the molecular formula C17H24F3N5O2 and a molecular weight of 387.41 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-3-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]piperidin-2-one.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-3-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]piperidin-2-one
PubChem CID75475434
Molecular FormulaC17H24F3N5O2
Molecular Weight387.41 g/mol
Exact Mass387.19
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-3-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]piperidin-2-one
SMILESCc1cc(N2CCCC(N3CCN(C(=O)CC(F)(F)F)CC3)C2=O)n(C)n1
InChIInChI=1S/C17H24F3N5O2/c1-12-10-14(22(2)21-12)25-5-3-4-13(16(25)27)23-6-8-24(9-7-23)15(26)11-17(18,19)20/h10,13H,3-9,11H2,1-2H3
InChIKeyODPABPXPHWSAGF-UHFFFAOYSA-N
XLogP1.32
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2,5-dimethylpyrazol-3-yl)-3-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]piperidin-2-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-(2,5-dimethylpyrazol-3-yl)-3-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]piperidin-2-one?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]piperidin-2-one (CID 75475434) is 1-(2,5-dimethylpyrazol-3-yl)-3-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]piperidin-2-one.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-3-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]piperidin-2-one?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-3-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]piperidin-2-one is Cc1cc(N2CCCC(N3CCN(C(=O)CC(F)(F)F)CC3)C2=O)n(C)n1.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-3-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]piperidin-2-one?
The InChIKey is ODPABPXPHWSAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N5O2/c1-12-10-14(22(2)21-12)25-5-3-4-13(16(25)27)23-6-8-24(9-7-23)15(26)11-17(18,19)20/h10,13H,3-9,11H2,1-2H3.
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-3-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]piperidin-2-one?
1-(2,5-dimethylpyrazol-3-yl)-3-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]piperidin-2-one has a molecular weight of 387.41 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-3-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]piperidin-2-one is sourced from PubChem (CID 75475434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).