1-(1H-pyrazol-5-yl)piperazine;bis(2,2,2-trifluoroacetic acid)

C11H14F6N4O4 — CID 175864810

IUPAC1-(1H-pyrazol-5-yl)piperazine;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1cc(N2CCNCC2)[nH]n1
InChIInChI=1S/C7H12N4.2C2HF3O2/c1-2-9-10-7(1)11-5-3-8-4-6-11;2*3-2(4,5)1(6)7/h1-2,8H,3-6H2,(H,9,10);2*(H,6,7)
InChIKeyYIZAEUWHZXHGEY-UHFFFAOYSA-N
MW380.25 g/mol
LogP1.09
Rot. Bonds1

About 1-(1H-pyrazol-5-yl)piperazine;bis(2,2,2-trifluoroacetic acid)

1-(1H-pyrazol-5-yl)piperazine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 175864810) has the molecular formula C11H14F6N4O4 and a molecular weight of 380.25 g/mol. Its IUPAC name is 1-(1H-pyrazol-5-yl)piperazine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name1-(1H-pyrazol-5-yl)piperazine;bis(2,2,2-trifluoroacetic acid)
PubChem CID175864810
Molecular FormulaC11H14F6N4O4
Molecular Weight380.25 g/mol
Exact Mass380.09
IUPAC Name1-(1H-pyrazol-5-yl)piperazine;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1cc(N2CCNCC2)[nH]n1
InChIInChI=1S/C7H12N4.2C2HF3O2/c1-2-9-10-7(1)11-5-3-8-4-6-11;2*3-2(4,5)1(6)7/h1-2,8H,3-6H2,(H,9,10);2*(H,6,7)
InChIKeyYIZAEUWHZXHGEY-UHFFFAOYSA-N
XLogP1.09
TPSA118.55 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.25
LogP ≤ 51.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-5-yl)piperazine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 1-(1H-pyrazol-5-yl)piperazine;bis(2,2,2-trifluoroacetic acid) (CID 175864810) is 1-(1H-pyrazol-5-yl)piperazine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 1-(1H-pyrazol-5-yl)piperazine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 1-(1H-pyrazol-5-yl)piperazine;bis(2,2,2-trifluoroacetic acid) is O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1cc(N2CCNCC2)[nH]n1.
What is the InChIKey of 1-(1H-pyrazol-5-yl)piperazine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is YIZAEUWHZXHGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4.2C2HF3O2/c1-2-9-10-7(1)11-5-3-8-4-6-11;2*3-2(4,5)1(6)7/h1-2,8H,3-6H2,(H,9,10);2*(H,6,7).
What are the key properties of 1-(1H-pyrazol-5-yl)piperazine;bis(2,2,2-trifluoroacetic acid)?
1-(1H-pyrazol-5-yl)piperazine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 380.25 g/mol, XLogP of 1.09, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-5-yl)piperazine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 175864810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).