1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperazine

C9H13F3N4 — CID 120833701

IUPAC1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperazine
SMILESFC(F)(F)c1cc(CN2CCNCC2)[nH]n1
InChIInChI=1S/C9H13F3N4/c10-9(11,12)8-5-7(14-15-8)6-16-3-1-13-2-4-16/h5,13H,1-4,6H2,(H,14,15)
InChIKeyBUBAVEIAJFOWDT-UHFFFAOYSA-N
MW234.22 g/mol
LogP0.83
Rot. Bonds2

About 1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperazine

1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperazine (PubChem CID 120833701) has the molecular formula C9H13F3N4 and a molecular weight of 234.22 g/mol. Its IUPAC name is 1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperazine.

Molecular Properties

Compound Name1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperazine
PubChem CID120833701
Molecular FormulaC9H13F3N4
Molecular Weight234.22 g/mol
Exact Mass234.11
IUPAC Name1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperazine
SMILESFC(F)(F)c1cc(CN2CCNCC2)[nH]n1
InChIInChI=1S/C9H13F3N4/c10-9(11,12)8-5-7(14-15-8)6-16-3-1-13-2-4-16/h5,13H,1-4,6H2,(H,14,15)
InChIKeyBUBAVEIAJFOWDT-UHFFFAOYSA-N
XLogP0.83
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperazine?
The IUPAC name of 1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperazine (CID 120833701) is 1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperazine.
What is the SMILES notation for 1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperazine?
The canonical SMILES for 1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperazine is FC(F)(F)c1cc(CN2CCNCC2)[nH]n1.
What is the InChIKey of 1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperazine?
The InChIKey is BUBAVEIAJFOWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4/c10-9(11,12)8-5-7(14-15-8)6-16-3-1-13-2-4-16/h5,13H,1-4,6H2,(H,14,15).
What are the key properties of 1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperazine?
1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperazine has a molecular weight of 234.22 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperazine is sourced from PubChem (CID 120833701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).