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

C8H13Cl2F3N4 — CID 170912151

IUPAC1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperazine;dihydrochloride
SMILESCl.Cl.FC(F)(F)c1cc(N2CCNCC2)n[nH]1
InChIInChI=1S/C8H11F3N4.2ClH/c9-8(10,11)6-5-7(14-13-6)15-3-1-12-2-4-15;;/h5,12H,1-4H2,(H,13,14);2*1H
InChIKeyMDZXWZUNGSHESH-UHFFFAOYSA-N
MW293.12 g/mol
LogP1.68
Rot. Bonds1

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

1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperazine;dihydrochloride (PubChem CID 170912151) has the molecular formula C8H13Cl2F3N4 and a molecular weight of 293.12 g/mol. Its IUPAC name is 1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperazine;dihydrochloride
PubChem CID170912151
Molecular FormulaC8H13Cl2F3N4
Molecular Weight293.12 g/mol
Exact Mass292.05
IUPAC Name1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperazine;dihydrochloride
SMILESCl.Cl.FC(F)(F)c1cc(N2CCNCC2)n[nH]1
InChIInChI=1S/C8H11F3N4.2ClH/c9-8(10,11)6-5-7(14-13-6)15-3-1-12-2-4-15;;/h5,12H,1-4H2,(H,13,14);2*1H
InChIKeyMDZXWZUNGSHESH-UHFFFAOYSA-N
XLogP1.68
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.12
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperazine;dihydrochloride?
The IUPAC name of 1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperazine;dihydrochloride (CID 170912151) is 1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperazine;dihydrochloride?
The canonical SMILES for 1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperazine;dihydrochloride is Cl.Cl.FC(F)(F)c1cc(N2CCNCC2)n[nH]1.
What is the InChIKey of 1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperazine;dihydrochloride?
The InChIKey is MDZXWZUNGSHESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4.2ClH/c9-8(10,11)6-5-7(14-13-6)15-3-1-12-2-4-15;;/h5,12H,1-4H2,(H,13,14);2*1H.
What are the key properties of 1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperazine;dihydrochloride?
1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperazine;dihydrochloride has a molecular weight of 293.12 g/mol, XLogP of 1.68, 1 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-3-yl]piperazine;dihydrochloride is sourced from PubChem (CID 170912151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).