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

C9H13F3N4 — CID 174286339

IUPAC1-[[1-(trifluoromethyl)pyrazol-3-yl]methyl]piperazine
SMILESFC(F)(F)n1ccc(CN2CCNCC2)n1
InChIInChI=1S/C9H13F3N4/c10-9(11,12)16-4-1-8(14-16)7-15-5-2-13-3-6-15/h1,4,13H,2-3,5-7H2
InChIKeyUHDSBGBSQMPCJH-UHFFFAOYSA-N
MW234.22 g/mol
LogP0.76
Rot. Bonds2

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

1-[[1-(trifluoromethyl)pyrazol-3-yl]methyl]piperazine (PubChem CID 174286339) has the molecular formula C9H13F3N4 and a molecular weight of 234.22 g/mol. Its IUPAC name is 1-[[1-(trifluoromethyl)pyrazol-3-yl]methyl]piperazine.

Molecular Properties

Compound Name1-[[1-(trifluoromethyl)pyrazol-3-yl]methyl]piperazine
PubChem CID174286339
Molecular FormulaC9H13F3N4
Molecular Weight234.22 g/mol
Exact Mass234.11
IUPAC Name1-[[1-(trifluoromethyl)pyrazol-3-yl]methyl]piperazine
SMILESFC(F)(F)n1ccc(CN2CCNCC2)n1
InChIInChI=1S/C9H13F3N4/c10-9(11,12)16-4-1-8(14-16)7-15-5-2-13-3-6-15/h1,4,13H,2-3,5-7H2
InChIKeyUHDSBGBSQMPCJH-UHFFFAOYSA-N
XLogP0.76
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(trifluoromethyl)pyrazol-3-yl]methyl]piperazine?
The IUPAC name of 1-[[1-(trifluoromethyl)pyrazol-3-yl]methyl]piperazine (CID 174286339) is 1-[[1-(trifluoromethyl)pyrazol-3-yl]methyl]piperazine.
What is the SMILES notation for 1-[[1-(trifluoromethyl)pyrazol-3-yl]methyl]piperazine?
The canonical SMILES for 1-[[1-(trifluoromethyl)pyrazol-3-yl]methyl]piperazine is FC(F)(F)n1ccc(CN2CCNCC2)n1.
What is the InChIKey of 1-[[1-(trifluoromethyl)pyrazol-3-yl]methyl]piperazine?
The InChIKey is UHDSBGBSQMPCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4/c10-9(11,12)16-4-1-8(14-16)7-15-5-2-13-3-6-15/h1,4,13H,2-3,5-7H2.
What are the key properties of 1-[[1-(trifluoromethyl)pyrazol-3-yl]methyl]piperazine?
1-[[1-(trifluoromethyl)pyrazol-3-yl]methyl]piperazine has a molecular weight of 234.22 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(trifluoromethyl)pyrazol-3-yl]methyl]piperazine is sourced from PubChem (CID 174286339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).