1-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]piperazine

C9H13F3N4 — CID 82620222

IUPAC1-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]piperazine
SMILESFC(F)(F)c1[nH]ncc1CN1CCNCC1
InChIInChI=1S/C9H13F3N4/c10-9(11,12)8-7(5-14-15-8)6-16-3-1-13-2-4-16/h5,13H,1-4,6H2,(H,14,15)
InChIKeyVIYGBJWNWSESQJ-UHFFFAOYSA-N
MW234.22 g/mol
LogP0.83
Rot. Bonds2

About 1-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]piperazine

1-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]piperazine (PubChem CID 82620222) has the molecular formula C9H13F3N4 and a molecular weight of 234.22 g/mol. Its IUPAC name is 1-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]piperazine.

Molecular Properties

Compound Name1-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]piperazine
PubChem CID82620222
Molecular FormulaC9H13F3N4
Molecular Weight234.22 g/mol
Exact Mass234.11
IUPAC Name1-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]piperazine
SMILESFC(F)(F)c1[nH]ncc1CN1CCNCC1
InChIInChI=1S/C9H13F3N4/c10-9(11,12)8-7(5-14-15-8)6-16-3-1-13-2-4-16/h5,13H,1-4,6H2,(H,14,15)
InChIKeyVIYGBJWNWSESQJ-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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Related Compounds

4-(piperazin-1-ylmethyl)-1H-indazole
CID 82509172
1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]piperazine
CID 82622598
2-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,3-thiazole
CID 120833610
N,N-dimethyl-5-[1-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]azetidin-3-yl]-1,2,4-oxadiazol-3-amine
CID 166314476
4-(piperazin-1-ylmethyl)-5-(trifluoromethyl)benzene-1,2-diol
CID 117442103
1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine
CID 134413230
1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,4,7,10-tetrazacyclododecane
CID 162536610
1-[[3-methyl-2-(trifluoromethyl)imidazol-4-yl]methyl]piperazine
CID 82623000
1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]piperazine
CID 167531096
3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-ol
CID 2763521
1-[[4,5-dimethoxy-2-(trifluoromethyl)phenyl]methyl]piperazine
CID 117489558
4-benzyl-5-(trifluoromethyl)-1H-pyrazole
CID 121219370

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]piperazine?
The IUPAC name of 1-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]piperazine (CID 82620222) is 1-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]piperazine.
What is the SMILES notation for 1-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]piperazine?
The canonical SMILES for 1-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]piperazine is FC(F)(F)c1[nH]ncc1CN1CCNCC1.
What is the InChIKey of 1-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]piperazine?
The InChIKey is VIYGBJWNWSESQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4/c10-9(11,12)8-7(5-14-15-8)6-16-3-1-13-2-4-16/h5,13H,1-4,6H2,(H,14,15).
What are the key properties of 1-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]piperazine?
1-[[5-(trifluoromethyl)-1H-pyrazol-4-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-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]piperazine is sourced from PubChem (CID 82620222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).