ethane;2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine

C12H20F3N3 — CID 145285637

IUPACethane;2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine
SMILESCC.Cn1nccc1C1CC(C(F)(F)F)CCN1
InChIInChI=1S/C10H14F3N3.C2H6/c1-16-9(3-5-15-16)8-6-7(2-4-14-8)10(11,12)13;1-2/h3,5,7-8,14H,2,4,6H2,1H3;1-2H3
InChIKeyZIXALIFMQPVBHW-UHFFFAOYSA-N
MW263.31 g/mol
LogP3.05
Rot. Bonds1

About ethane;2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine

ethane;2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine (PubChem CID 145285637) has the molecular formula C12H20F3N3 and a molecular weight of 263.31 g/mol. Its IUPAC name is ethane;2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Nameethane;2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine
PubChem CID145285637
Molecular FormulaC12H20F3N3
Molecular Weight263.31 g/mol
Exact Mass263.16
IUPAC Nameethane;2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine
SMILESCC.Cn1nccc1C1CC(C(F)(F)F)CCN1
InChIInChI=1S/C10H14F3N3.C2H6/c1-16-9(3-5-15-16)8-6-7(2-4-14-8)10(11,12)13;1-2/h3,5,7-8,14H,2,4,6H2,1H3;1-2H3
InChIKeyZIXALIFMQPVBHW-UHFFFAOYSA-N
XLogP3.05
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine?
The IUPAC name of ethane;2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine (CID 145285637) is ethane;2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine.
What is the SMILES notation for ethane;2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine?
The canonical SMILES for ethane;2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine is CC.Cn1nccc1C1CC(C(F)(F)F)CCN1.
What is the InChIKey of ethane;2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine?
The InChIKey is ZIXALIFMQPVBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3.C2H6/c1-16-9(3-5-15-16)8-6-7(2-4-14-8)10(11,12)13;1-2/h3,5,7-8,14H,2,4,6H2,1H3;1-2H3.
What are the key properties of ethane;2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine?
ethane;2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine has a molecular weight of 263.31 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 145285637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).