3-(1H-pyrazol-4-yl)-5-(trifluoromethyl)piperidine

C9H12F3N3 — CID 158164062

IUPAC3-(1H-pyrazol-4-yl)-5-(trifluoromethyl)piperidine
SMILESFC(F)(F)C1CNCC(c2cn[nH]c2)C1
InChIInChI=1S/C9H12F3N3/c10-9(11,12)8-1-6(2-13-5-8)7-3-14-15-4-7/h3-4,6,8,13H,1-2,5H2,(H,14,15)
InChIKeyFWPZGNPTCAAINU-UHFFFAOYSA-N
MW219.21 g/mol
LogP1.67
Rot. Bonds1

About 3-(1H-pyrazol-4-yl)-5-(trifluoromethyl)piperidine

3-(1H-pyrazol-4-yl)-5-(trifluoromethyl)piperidine (PubChem CID 158164062) has the molecular formula C9H12F3N3 and a molecular weight of 219.21 g/mol. Its IUPAC name is 3-(1H-pyrazol-4-yl)-5-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name3-(1H-pyrazol-4-yl)-5-(trifluoromethyl)piperidine
PubChem CID158164062
Molecular FormulaC9H12F3N3
Molecular Weight219.21 g/mol
Exact Mass219.10
IUPAC Name3-(1H-pyrazol-4-yl)-5-(trifluoromethyl)piperidine
SMILESFC(F)(F)C1CNCC(c2cn[nH]c2)C1
InChIInChI=1S/C9H12F3N3/c10-9(11,12)8-1-6(2-13-5-8)7-3-14-15-4-7/h3-4,6,8,13H,1-2,5H2,(H,14,15)
InChIKeyFWPZGNPTCAAINU-UHFFFAOYSA-N
XLogP1.67
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrazol-4-yl)-5-(trifluoromethyl)piperidine?
The IUPAC name of 3-(1H-pyrazol-4-yl)-5-(trifluoromethyl)piperidine (CID 158164062) is 3-(1H-pyrazol-4-yl)-5-(trifluoromethyl)piperidine.
What is the SMILES notation for 3-(1H-pyrazol-4-yl)-5-(trifluoromethyl)piperidine?
The canonical SMILES for 3-(1H-pyrazol-4-yl)-5-(trifluoromethyl)piperidine is FC(F)(F)C1CNCC(c2cn[nH]c2)C1.
What is the InChIKey of 3-(1H-pyrazol-4-yl)-5-(trifluoromethyl)piperidine?
The InChIKey is FWPZGNPTCAAINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3/c10-9(11,12)8-1-6(2-13-5-8)7-3-14-15-4-7/h3-4,6,8,13H,1-2,5H2,(H,14,15).
What are the key properties of 3-(1H-pyrazol-4-yl)-5-(trifluoromethyl)piperidine?
3-(1H-pyrazol-4-yl)-5-(trifluoromethyl)piperidine has a molecular weight of 219.21 g/mol, XLogP of 1.67, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrazol-4-yl)-5-(trifluoromethyl)piperidine is sourced from PubChem (CID 158164062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).