4-methyl-2-(1-methylpyrazol-4-yl)-1-(2,2,2-trifluoroethyl)piperazine

C11H17F3N4 — CID 176675593

IUPAC4-methyl-2-(1-methylpyrazol-4-yl)-1-(2,2,2-trifluoroethyl)piperazine
SMILESCN1CCN(CC(F)(F)F)C(c2cnn(C)c2)C1
InChIInChI=1S/C11H17F3N4/c1-16-3-4-18(8-11(12,13)14)10(7-16)9-5-15-17(2)6-9/h5-6,10H,3-4,7-8H2,1-2H3
InChIKeyPNNHMTCGQJXPQV-UHFFFAOYSA-N
MW262.28 g/mol
LogP1.27
Rot. Bonds2

About 4-methyl-2-(1-methylpyrazol-4-yl)-1-(2,2,2-trifluoroethyl)piperazine

4-methyl-2-(1-methylpyrazol-4-yl)-1-(2,2,2-trifluoroethyl)piperazine (PubChem CID 176675593) has the molecular formula C11H17F3N4 and a molecular weight of 262.28 g/mol. Its IUPAC name is 4-methyl-2-(1-methylpyrazol-4-yl)-1-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name4-methyl-2-(1-methylpyrazol-4-yl)-1-(2,2,2-trifluoroethyl)piperazine
PubChem CID176675593
Molecular FormulaC11H17F3N4
Molecular Weight262.28 g/mol
Exact Mass262.14
IUPAC Name4-methyl-2-(1-methylpyrazol-4-yl)-1-(2,2,2-trifluoroethyl)piperazine
SMILESCN1CCN(CC(F)(F)F)C(c2cnn(C)c2)C1
InChIInChI=1S/C11H17F3N4/c1-16-3-4-18(8-11(12,13)14)10(7-16)9-5-15-17(2)6-9/h5-6,10H,3-4,7-8H2,1-2H3
InChIKeyPNNHMTCGQJXPQV-UHFFFAOYSA-N
XLogP1.27
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-methyl-2-(1-methylpyrazol-4-yl)-1-(2,2,2-trifluoroethyl)piperazine 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 4-methyl-2-(1-methylpyrazol-4-yl)-1-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of 4-methyl-2-(1-methylpyrazol-4-yl)-1-(2,2,2-trifluoroethyl)piperazine (CID 176675593) is 4-methyl-2-(1-methylpyrazol-4-yl)-1-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for 4-methyl-2-(1-methylpyrazol-4-yl)-1-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for 4-methyl-2-(1-methylpyrazol-4-yl)-1-(2,2,2-trifluoroethyl)piperazine is CN1CCN(CC(F)(F)F)C(c2cnn(C)c2)C1.
What is the InChIKey of 4-methyl-2-(1-methylpyrazol-4-yl)-1-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is PNNHMTCGQJXPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4/c1-16-3-4-18(8-11(12,13)14)10(7-16)9-5-15-17(2)6-9/h5-6,10H,3-4,7-8H2,1-2H3.
What are the key properties of 4-methyl-2-(1-methylpyrazol-4-yl)-1-(2,2,2-trifluoroethyl)piperazine?
4-methyl-2-(1-methylpyrazol-4-yl)-1-(2,2,2-trifluoroethyl)piperazine has a molecular weight of 262.28 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1-methylpyrazol-4-yl)-1-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 176675593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).