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

C9H12F3N3 — CID 83404059

IUPAC4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine
SMILESFC(F)(F)c1cc(C2CCNCC2)[nH]n1
InChIInChI=1S/C9H12F3N3/c10-9(11,12)8-5-7(14-15-8)6-1-3-13-4-2-6/h5-6,13H,1-4H2,(H,14,15)
InChIKeyJPCKFRDIOLETDV-UHFFFAOYSA-N
MW219.21 g/mol
LogP1.90
Rot. Bonds1

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

4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine (PubChem CID 83404059) has the molecular formula C9H12F3N3 and a molecular weight of 219.21 g/mol. Its IUPAC name is 4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine.

Molecular Properties

Compound Name4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine
PubChem CID83404059
Molecular FormulaC9H12F3N3
Molecular Weight219.21 g/mol
Exact Mass219.10
IUPAC Name4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine
SMILESFC(F)(F)c1cc(C2CCNCC2)[nH]n1
InChIInChI=1S/C9H12F3N3/c10-9(11,12)8-5-7(14-15-8)6-1-3-13-4-2-6/h5-6,13H,1-4H2,(H,14,15)
InChIKeyJPCKFRDIOLETDV-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine?
The IUPAC name of 4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine (CID 83404059) is 4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine.
What is the SMILES notation for 4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine?
The canonical SMILES for 4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine is FC(F)(F)c1cc(C2CCNCC2)[nH]n1.
What is the InChIKey of 4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine?
The InChIKey is JPCKFRDIOLETDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3/c10-9(11,12)8-5-7(14-15-8)6-1-3-13-4-2-6/h5-6,13H,1-4H2,(H,14,15).
What are the key properties of 4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine?
4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine has a molecular weight of 219.21 g/mol, XLogP of 1.90, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine is sourced from PubChem (CID 83404059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).