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

C8H11F3N4 — CID 170912152

IUPAC1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperazine
SMILESFC(F)(F)c1cc(N2CCNCC2)n[nH]1
InChIInChI=1S/C8H11F3N4/c9-8(10,11)6-5-7(14-13-6)15-3-1-12-2-4-15/h5,12H,1-4H2,(H,13,14)
InChIKeyKDNAOPFCPQKWGU-UHFFFAOYSA-N
MW220.20 g/mol
LogP0.84
Rot. Bonds1

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

1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperazine (PubChem CID 170912152) has the molecular formula C8H11F3N4 and a molecular weight of 220.20 g/mol. Its IUPAC name is 1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperazine.

Molecular Properties

Compound Name1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperazine
PubChem CID170912152
Molecular FormulaC8H11F3N4
Molecular Weight220.20 g/mol
Exact Mass220.09
IUPAC Name1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperazine
SMILESFC(F)(F)c1cc(N2CCNCC2)n[nH]1
InChIInChI=1S/C8H11F3N4/c9-8(10,11)6-5-7(14-13-6)15-3-1-12-2-4-15/h5,12H,1-4H2,(H,13,14)
InChIKeyKDNAOPFCPQKWGU-UHFFFAOYSA-N
XLogP0.84
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 50.84
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?
The IUPAC name of 1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperazine (CID 170912152) is 1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperazine.
What is the SMILES notation for 1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperazine?
The canonical SMILES for 1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperazine is FC(F)(F)c1cc(N2CCNCC2)n[nH]1.
What is the InChIKey of 1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperazine?
The InChIKey is KDNAOPFCPQKWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4/c9-8(10,11)6-5-7(14-13-6)15-3-1-12-2-4-15/h5,12H,1-4H2,(H,13,14).
What are the key properties of 1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperazine?
1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperazine has a molecular weight of 220.20 g/mol, XLogP of 0.84, 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 is sourced from PubChem (CID 170912152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).