2-(1H-pyrazol-4-yl)-6-(trifluoromethyl)piperazine

C8H11F3N4 — CID 139343890

IUPAC2-(1H-pyrazol-4-yl)-6-(trifluoromethyl)piperazine
SMILESFC(F)(F)C1CNCC(c2cn[nH]c2)N1
InChIInChI=1S/C8H11F3N4/c9-8(10,11)7-4-12-3-6(15-7)5-1-13-14-2-5/h1-2,6-7,12,15H,3-4H2,(H,13,14)
InChIKeyYXVSRPKCSFEGKL-UHFFFAOYSA-N
MW220.20 g/mol
LogP0.57
Rot. Bonds1

About 2-(1H-pyrazol-4-yl)-6-(trifluoromethyl)piperazine

2-(1H-pyrazol-4-yl)-6-(trifluoromethyl)piperazine (PubChem CID 139343890) has the molecular formula C8H11F3N4 and a molecular weight of 220.20 g/mol. Its IUPAC name is 2-(1H-pyrazol-4-yl)-6-(trifluoromethyl)piperazine.

Molecular Properties

Compound Name2-(1H-pyrazol-4-yl)-6-(trifluoromethyl)piperazine
PubChem CID139343890
Molecular FormulaC8H11F3N4
Molecular Weight220.20 g/mol
Exact Mass220.09
IUPAC Name2-(1H-pyrazol-4-yl)-6-(trifluoromethyl)piperazine
SMILESFC(F)(F)C1CNCC(c2cn[nH]c2)N1
InChIInChI=1S/C8H11F3N4/c9-8(10,11)7-4-12-3-6(15-7)5-1-13-14-2-5/h1-2,6-7,12,15H,3-4H2,(H,13,14)
InChIKeyYXVSRPKCSFEGKL-UHFFFAOYSA-N
XLogP0.57
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrazol-4-yl)-6-(trifluoromethyl)piperazine?
The IUPAC name of 2-(1H-pyrazol-4-yl)-6-(trifluoromethyl)piperazine (CID 139343890) is 2-(1H-pyrazol-4-yl)-6-(trifluoromethyl)piperazine.
What is the SMILES notation for 2-(1H-pyrazol-4-yl)-6-(trifluoromethyl)piperazine?
The canonical SMILES for 2-(1H-pyrazol-4-yl)-6-(trifluoromethyl)piperazine is FC(F)(F)C1CNCC(c2cn[nH]c2)N1.
What is the InChIKey of 2-(1H-pyrazol-4-yl)-6-(trifluoromethyl)piperazine?
The InChIKey is YXVSRPKCSFEGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4/c9-8(10,11)7-4-12-3-6(15-7)5-1-13-14-2-5/h1-2,6-7,12,15H,3-4H2,(H,13,14).
What are the key properties of 2-(1H-pyrazol-4-yl)-6-(trifluoromethyl)piperazine?
2-(1H-pyrazol-4-yl)-6-(trifluoromethyl)piperazine has a molecular weight of 220.20 g/mol, XLogP of 0.57, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrazol-4-yl)-6-(trifluoromethyl)piperazine is sourced from PubChem (CID 139343890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).