1-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)piperazine

C9H13F3N4 — CID 90240800

IUPAC1-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)piperazine
SMILESCn1cc(N2CCNCC2C(F)(F)F)cn1
InChIInChI=1S/C9H13F3N4/c1-15-6-7(4-14-15)16-3-2-13-5-8(16)9(10,11)12/h4,6,8,13H,2-3,5H2,1H3
InChIKeyNYYGEPGSOJARSK-UHFFFAOYSA-N
MW234.22 g/mol
LogP0.76
Rot. Bonds1

About 1-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)piperazine

1-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)piperazine (PubChem CID 90240800) has the molecular formula C9H13F3N4 and a molecular weight of 234.22 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)piperazine.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)piperazine
PubChem CID90240800
Molecular FormulaC9H13F3N4
Molecular Weight234.22 g/mol
Exact Mass234.11
IUPAC Name1-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)piperazine
SMILESCn1cc(N2CCNCC2C(F)(F)F)cn1
InChIInChI=1S/C9H13F3N4/c1-15-6-7(4-14-15)16-3-2-13-5-8(16)9(10,11)12/h4,6,8,13H,2-3,5H2,1H3
InChIKeyNYYGEPGSOJARSK-UHFFFAOYSA-N
XLogP0.76
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)piperazine?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)piperazine (CID 90240800) is 1-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)piperazine.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)piperazine?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)piperazine is Cn1cc(N2CCNCC2C(F)(F)F)cn1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)piperazine?
The InChIKey is NYYGEPGSOJARSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4/c1-15-6-7(4-14-15)16-3-2-13-5-8(16)9(10,11)12/h4,6,8,13H,2-3,5H2,1H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)piperazine?
1-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)piperazine has a molecular weight of 234.22 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)piperazine is sourced from PubChem (CID 90240800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).