1-[1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]piperazine

C14H15F3N4 — CID 117210977

IUPAC1-[1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]piperazine
SMILESFC(F)(F)c1ccccc1-n1cc(N2CCNCC2)cn1
InChIInChI=1S/C14H15F3N4/c15-14(16,17)12-3-1-2-4-13(12)21-10-11(9-19-21)20-7-5-18-6-8-20/h1-4,9-10,18H,5-8H2
InChIKeyHYXBGVFLILEPFZ-UHFFFAOYSA-N
MW296.30 g/mol
LogP2.30
Rot. Bonds2

About 1-[1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]piperazine

1-[1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]piperazine (PubChem CID 117210977) has the molecular formula C14H15F3N4 and a molecular weight of 296.30 g/mol. Its IUPAC name is 1-[1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]piperazine.

Molecular Properties

Compound Name1-[1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]piperazine
PubChem CID117210977
Molecular FormulaC14H15F3N4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name1-[1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]piperazine
SMILESFC(F)(F)c1ccccc1-n1cc(N2CCNCC2)cn1
InChIInChI=1S/C14H15F3N4/c15-14(16,17)12-3-1-2-4-13(12)21-10-11(9-19-21)20-7-5-18-6-8-20/h1-4,9-10,18H,5-8H2
InChIKeyHYXBGVFLILEPFZ-UHFFFAOYSA-N
XLogP2.30
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]piperazine?
The IUPAC name of 1-[1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]piperazine (CID 117210977) is 1-[1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]piperazine.
What is the SMILES notation for 1-[1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]piperazine?
The canonical SMILES for 1-[1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]piperazine is FC(F)(F)c1ccccc1-n1cc(N2CCNCC2)cn1.
What is the InChIKey of 1-[1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]piperazine?
The InChIKey is HYXBGVFLILEPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4/c15-14(16,17)12-3-1-2-4-13(12)21-10-11(9-19-21)20-7-5-18-6-8-20/h1-4,9-10,18H,5-8H2.
What are the key properties of 1-[1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]piperazine?
1-[1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]piperazine has a molecular weight of 296.30 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]piperazine is sourced from PubChem (CID 117210977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).