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

C10H15F3N4 — CID 174286689

IUPAC1-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]piperazine
SMILESFC(F)(F)Cn1nccc1CN1CCNCC1
InChIInChI=1S/C10H15F3N4/c11-10(12,13)8-17-9(1-2-15-17)7-16-5-3-14-4-6-16/h1-2,14H,3-8H2
InChIKeyKTMZVYAGXXOYAB-UHFFFAOYSA-N
MW248.25 g/mol
LogP0.85
Rot. Bonds3

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

1-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]piperazine (PubChem CID 174286689) has the molecular formula C10H15F3N4 and a molecular weight of 248.25 g/mol. Its IUPAC name is 1-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]piperazine.

Molecular Properties

Compound Name1-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]piperazine
PubChem CID174286689
Molecular FormulaC10H15F3N4
Molecular Weight248.25 g/mol
Exact Mass248.12
IUPAC Name1-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]piperazine
SMILESFC(F)(F)Cn1nccc1CN1CCNCC1
InChIInChI=1S/C10H15F3N4/c11-10(12,13)8-17-9(1-2-15-17)7-16-5-3-14-4-6-16/h1-2,14H,3-8H2
InChIKeyKTMZVYAGXXOYAB-UHFFFAOYSA-N
XLogP0.85
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]piperazine?
The IUPAC name of 1-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]piperazine (CID 174286689) is 1-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]piperazine.
What is the SMILES notation for 1-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]piperazine?
The canonical SMILES for 1-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]piperazine is FC(F)(F)Cn1nccc1CN1CCNCC1.
What is the InChIKey of 1-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]piperazine?
The InChIKey is KTMZVYAGXXOYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4/c11-10(12,13)8-17-9(1-2-15-17)7-16-5-3-14-4-6-16/h1-2,14H,3-8H2.
What are the key properties of 1-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]piperazine?
1-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]piperazine has a molecular weight of 248.25 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]piperazine is sourced from PubChem (CID 174286689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).