1-(1H-pyrazol-4-yl)-4-[3-(trifluoromethyl)phenyl]piperazine

C14H15F3N4 — CID 69494838

IUPAC1-(1H-pyrazol-4-yl)-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESFC(F)(F)c1cccc(N2CCN(c3cn[nH]c3)CC2)c1
InChIInChI=1S/C14H15F3N4/c15-14(16,17)11-2-1-3-12(8-11)20-4-6-21(7-5-20)13-9-18-19-10-13/h1-3,8-10H,4-7H2,(H,18,19)
InChIKeyUFWGBGVRKNKZAP-UHFFFAOYSA-N
MW296.30 g/mol
LogP2.76
Rot. Bonds2

About 1-(1H-pyrazol-4-yl)-4-[3-(trifluoromethyl)phenyl]piperazine

1-(1H-pyrazol-4-yl)-4-[3-(trifluoromethyl)phenyl]piperazine (PubChem CID 69494838) has the molecular formula C14H15F3N4 and a molecular weight of 296.30 g/mol. Its IUPAC name is 1-(1H-pyrazol-4-yl)-4-[3-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-(1H-pyrazol-4-yl)-4-[3-(trifluoromethyl)phenyl]piperazine
PubChem CID69494838
Molecular FormulaC14H15F3N4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name1-(1H-pyrazol-4-yl)-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESFC(F)(F)c1cccc(N2CCN(c3cn[nH]c3)CC2)c1
InChIInChI=1S/C14H15F3N4/c15-14(16,17)11-2-1-3-12(8-11)20-4-6-21(7-5-20)13-9-18-19-10-13/h1-3,8-10H,4-7H2,(H,18,19)
InChIKeyUFWGBGVRKNKZAP-UHFFFAOYSA-N
XLogP2.76
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-4-yl)-4-[3-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-(1H-pyrazol-4-yl)-4-[3-(trifluoromethyl)phenyl]piperazine (CID 69494838) is 1-(1H-pyrazol-4-yl)-4-[3-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-(1H-pyrazol-4-yl)-4-[3-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-(1H-pyrazol-4-yl)-4-[3-(trifluoromethyl)phenyl]piperazine is FC(F)(F)c1cccc(N2CCN(c3cn[nH]c3)CC2)c1.
What is the InChIKey of 1-(1H-pyrazol-4-yl)-4-[3-(trifluoromethyl)phenyl]piperazine?
The InChIKey is UFWGBGVRKNKZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4/c15-14(16,17)11-2-1-3-12(8-11)20-4-6-21(7-5-20)13-9-18-19-10-13/h1-3,8-10H,4-7H2,(H,18,19).
What are the key properties of 1-(1H-pyrazol-4-yl)-4-[3-(trifluoromethyl)phenyl]piperazine?
1-(1H-pyrazol-4-yl)-4-[3-(trifluoromethyl)phenyl]piperazine has a molecular weight of 296.30 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-4-yl)-4-[3-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 69494838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).