2-(3,5-dimethylpyrazol-1-yl)-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethanone

C23H30F3N5O — CID 24791497

IUPAC2-(3,5-dimethylpyrazol-1-yl)-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethanone
SMILESCc1cc(C)n(CC(=O)N2CCCC(N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)n1
InChIInChI=1S/C23H30F3N5O/c1-17-13-18(2)31(27-17)16-22(32)30-8-4-7-21(15-30)29-11-9-28(10-12-29)20-6-3-5-19(14-20)23(24,25)26/h3,5-6,13-14,21H,4,7-12,15-16H2,1-2H3
InChIKeyIVDDMCHKJPCWFT-UHFFFAOYSA-N
MW449.52 g/mol
LogP3.33
Rot. Bonds4

About 2-(3,5-dimethylpyrazol-1-yl)-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethanone

2-(3,5-dimethylpyrazol-1-yl)-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethanone (PubChem CID 24791497) has the molecular formula C23H30F3N5O and a molecular weight of 449.52 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethanone
PubChem CID24791497
Molecular FormulaC23H30F3N5O
Molecular Weight449.52 g/mol
Exact Mass449.24
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethanone
SMILESCc1cc(C)n(CC(=O)N2CCCC(N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)n1
InChIInChI=1S/C23H30F3N5O/c1-17-13-18(2)31(27-17)16-22(32)30-8-4-7-21(15-30)29-11-9-28(10-12-29)20-6-3-5-19(14-20)23(24,25)26/h3,5-6,13-14,21H,4,7-12,15-16H2,1-2H3
InChIKeyIVDDMCHKJPCWFT-UHFFFAOYSA-N
XLogP3.33
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.52
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3,5-dimethylpyrazol-1-yl)-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethanone 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 2-(3,5-dimethylpyrazol-1-yl)-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethanone (CID 24791497) is 2-(3,5-dimethylpyrazol-1-yl)-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethanone is Cc1cc(C)n(CC(=O)N2CCCC(N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethanone?
The InChIKey is IVDDMCHKJPCWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F3N5O/c1-17-13-18(2)31(27-17)16-22(32)30-8-4-7-21(15-30)29-11-9-28(10-12-29)20-6-3-5-19(14-20)23(24,25)26/h3,5-6,13-14,21H,4,7-12,15-16H2,1-2H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethanone?
2-(3,5-dimethylpyrazol-1-yl)-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethanone has a molecular weight of 449.52 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 24791497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).