2,5-dimethyl-1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperazine;hydrochloride

C11H18ClF3N4 — CID 120906398

IUPAC2,5-dimethyl-1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperazine;hydrochloride
SMILESCC1CN(Cc2cc(C(F)(F)F)n[nH]2)C(C)CN1.Cl
InChIInChI=1S/C11H17F3N4.ClH/c1-7-5-18(8(2)4-15-7)6-9-3-10(17-16-9)11(12,13)14;/h3,7-8,15H,4-6H2,1-2H3,(H,16,17);1H
InChIKeyIBKRXANUQNGZKL-UHFFFAOYSA-N
MW298.74 g/mol
LogP2.03
Rot. Bonds2

About 2,5-dimethyl-1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperazine;hydrochloride

2,5-dimethyl-1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperazine;hydrochloride (PubChem CID 120906398) has the molecular formula C11H18ClF3N4 and a molecular weight of 298.74 g/mol. Its IUPAC name is 2,5-dimethyl-1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name2,5-dimethyl-1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperazine;hydrochloride
PubChem CID120906398
Molecular FormulaC11H18ClF3N4
Molecular Weight298.74 g/mol
Exact Mass298.12
IUPAC Name2,5-dimethyl-1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperazine;hydrochloride
SMILESCC1CN(Cc2cc(C(F)(F)F)n[nH]2)C(C)CN1.Cl
InChIInChI=1S/C11H17F3N4.ClH/c1-7-5-18(8(2)4-15-7)6-9-3-10(17-16-9)11(12,13)14;/h3,7-8,15H,4-6H2,1-2H3,(H,16,17);1H
InChIKeyIBKRXANUQNGZKL-UHFFFAOYSA-N
XLogP2.03
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.74
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperazine;hydrochloride?
The IUPAC name of 2,5-dimethyl-1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperazine;hydrochloride (CID 120906398) is 2,5-dimethyl-1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperazine;hydrochloride.
What is the SMILES notation for 2,5-dimethyl-1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperazine;hydrochloride?
The canonical SMILES for 2,5-dimethyl-1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperazine;hydrochloride is CC1CN(Cc2cc(C(F)(F)F)n[nH]2)C(C)CN1.Cl.
What is the InChIKey of 2,5-dimethyl-1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperazine;hydrochloride?
The InChIKey is IBKRXANUQNGZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4.ClH/c1-7-5-18(8(2)4-15-7)6-9-3-10(17-16-9)11(12,13)14;/h3,7-8,15H,4-6H2,1-2H3,(H,16,17);1H.
What are the key properties of 2,5-dimethyl-1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperazine;hydrochloride?
2,5-dimethyl-1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperazine;hydrochloride has a molecular weight of 298.74 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperazine;hydrochloride is sourced from PubChem (CID 120906398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).