2-pyrazol-1-yl-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethanone

C21H26F3N5O — CID 24790762

IUPAC2-pyrazol-1-yl-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethanone
SMILESO=C(Cn1cccn1)N1CCCC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1
InChIInChI=1S/C21H26F3N5O/c22-21(23,24)17-4-1-5-18(14-17)26-10-12-27(13-11-26)19-6-2-8-28(15-19)20(30)16-29-9-3-7-25-29/h1,3-5,7,9,14,19H,2,6,8,10-13,15-16H2
InChIKeyMGROXOQHEJWFCD-UHFFFAOYSA-N
MW421.47 g/mol
LogP2.72
Rot. Bonds4

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

2-pyrazol-1-yl-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethanone (PubChem CID 24790762) has the molecular formula C21H26F3N5O and a molecular weight of 421.47 g/mol. Its IUPAC name is 2-pyrazol-1-yl-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-pyrazol-1-yl-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethanone
PubChem CID24790762
Molecular FormulaC21H26F3N5O
Molecular Weight421.47 g/mol
Exact Mass421.21
IUPAC Name2-pyrazol-1-yl-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethanone
SMILESO=C(Cn1cccn1)N1CCCC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1
InChIInChI=1S/C21H26F3N5O/c22-21(23,24)17-4-1-5-18(14-17)26-10-12-27(13-11-26)19-6-2-8-28(15-19)20(30)16-29-9-3-7-25-29/h1,3-5,7,9,14,19H,2,6,8,10-13,15-16H2
InChIKeyMGROXOQHEJWFCD-UHFFFAOYSA-N
XLogP2.72
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-pyrazol-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-pyrazol-1-yl-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-pyrazol-1-yl-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethanone (CID 24790762) is 2-pyrazol-1-yl-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-pyrazol-1-yl-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-pyrazol-1-yl-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethanone is O=C(Cn1cccn1)N1CCCC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1.
What is the InChIKey of 2-pyrazol-1-yl-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethanone?
The InChIKey is MGROXOQHEJWFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F3N5O/c22-21(23,24)17-4-1-5-18(14-17)26-10-12-27(13-11-26)19-6-2-8-28(15-19)20(30)16-29-9-3-7-25-29/h1,3-5,7,9,14,19H,2,6,8,10-13,15-16H2.
What are the key properties of 2-pyrazol-1-yl-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethanone?
2-pyrazol-1-yl-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethanone has a molecular weight of 421.47 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-yl-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 24790762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).