2-(3-chlorophenyl)-1-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]piperazine

C16H18ClF3N4 — CID 120780133

IUPAC2-(3-chlorophenyl)-1-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]piperazine
SMILESFC(F)(F)Cn1cc(CN2CCNCC2c2cccc(Cl)c2)cn1
InChIInChI=1S/C16H18ClF3N4/c17-14-3-1-2-13(6-14)15-8-21-4-5-23(15)9-12-7-22-24(10-12)11-16(18,19)20/h1-3,6-7,10,15,21H,4-5,8-9,11H2
InChIKeyHYAIDICWMUVJDA-UHFFFAOYSA-N
MW358.80 g/mol
LogP3.25
Rot. Bonds4

About 2-(3-chlorophenyl)-1-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]piperazine

2-(3-chlorophenyl)-1-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]piperazine (PubChem CID 120780133) has the molecular formula C16H18ClF3N4 and a molecular weight of 358.80 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]piperazine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]piperazine
PubChem CID120780133
Molecular FormulaC16H18ClF3N4
Molecular Weight358.80 g/mol
Exact Mass358.12
IUPAC Name2-(3-chlorophenyl)-1-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]piperazine
SMILESFC(F)(F)Cn1cc(CN2CCNCC2c2cccc(Cl)c2)cn1
InChIInChI=1S/C16H18ClF3N4/c17-14-3-1-2-13(6-14)15-8-21-4-5-23(15)9-12-7-22-24(10-12)11-16(18,19)20/h1-3,6-7,10,15,21H,4-5,8-9,11H2
InChIKeyHYAIDICWMUVJDA-UHFFFAOYSA-N
XLogP3.25
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.80
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-chlorophenyl)-1-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-chlorophenyl)-1-[(1-propylpyrazol-4-yl)methyl]piperazine;hydrochloride
CID 120780194
2-(3-chlorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine;hydrochloride
CID 120780146
2-(3-chlorophenyl)-1-(pyridin-3-ylmethyl)piperazine
CID 120780257
2-(3-fluorophenyl)-1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]piperazine;hydrochloride
CID 120768669
2-(3-chlorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine
CID 120780051
3-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]phenol;hydrochloride
CID 120780112
2-phenyl-1-[(1-propylpyrazol-4-yl)methyl]piperazine
CID 110109099
2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 120770952
2-(3-chlorophenyl)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine
CID 120780185
1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2-pyridin-3-ylpiperazine
CID 120846483
3-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-N,N-dimethylbenzamide
CID 120771242
2-(3-chlorophenyl)-1-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride
CID 120780214

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]piperazine?
The IUPAC name of 2-(3-chlorophenyl)-1-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]piperazine (CID 120780133) is 2-(3-chlorophenyl)-1-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]piperazine.
What is the SMILES notation for 2-(3-chlorophenyl)-1-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]piperazine?
The canonical SMILES for 2-(3-chlorophenyl)-1-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]piperazine is FC(F)(F)Cn1cc(CN2CCNCC2c2cccc(Cl)c2)cn1.
What is the InChIKey of 2-(3-chlorophenyl)-1-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]piperazine?
The InChIKey is HYAIDICWMUVJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClF3N4/c17-14-3-1-2-13(6-14)15-8-21-4-5-23(15)9-12-7-22-24(10-12)11-16(18,19)20/h1-3,6-7,10,15,21H,4-5,8-9,11H2.
What are the key properties of 2-(3-chlorophenyl)-1-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]piperazine?
2-(3-chlorophenyl)-1-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]piperazine has a molecular weight of 358.80 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]piperazine is sourced from PubChem (CID 120780133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).