2-(4-methylpyrazol-1-yl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone

C12H17F3N4O — CID 129368104

IUPAC2-(4-methylpyrazol-1-yl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
SMILESCc1cnn(CC(=O)N2CCN(CC(F)(F)F)CC2)c1
InChIInChI=1S/C12H17F3N4O/c1-10-6-16-19(7-10)8-11(20)18-4-2-17(3-5-18)9-12(13,14)15/h6-7H,2-5,8-9H2,1H3
InChIKeyKLJJGQOIMUOLJG-UHFFFAOYSA-N
MW290.29 g/mol
LogP0.90
Rot. Bonds3

About 2-(4-methylpyrazol-1-yl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone

2-(4-methylpyrazol-1-yl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone (PubChem CID 129368104) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-(4-methylpyrazol-1-yl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-methylpyrazol-1-yl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
PubChem CID129368104
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name2-(4-methylpyrazol-1-yl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
SMILESCc1cnn(CC(=O)N2CCN(CC(F)(F)F)CC2)c1
InChIInChI=1S/C12H17F3N4O/c1-10-6-16-19(7-10)8-11(20)18-4-2-17(3-5-18)9-12(13,14)15/h6-7H,2-5,8-9H2,1H3
InChIKeyKLJJGQOIMUOLJG-UHFFFAOYSA-N
XLogP0.90
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-methylpyrazol-1-yl)-1-[4-(2,2,2-trifluoroethyl)piperazin-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-(4-methylpyrazol-1-yl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-methylpyrazol-1-yl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone (CID 129368104) is 2-(4-methylpyrazol-1-yl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-methylpyrazol-1-yl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-methylpyrazol-1-yl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone is Cc1cnn(CC(=O)N2CCN(CC(F)(F)F)CC2)c1.
What is the InChIKey of 2-(4-methylpyrazol-1-yl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone?
The InChIKey is KLJJGQOIMUOLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-10-6-16-19(7-10)8-11(20)18-4-2-17(3-5-18)9-12(13,14)15/h6-7H,2-5,8-9H2,1H3.
What are the key properties of 2-(4-methylpyrazol-1-yl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone?
2-(4-methylpyrazol-1-yl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone has a molecular weight of 290.29 g/mol, XLogP of 0.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpyrazol-1-yl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 129368104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).