6-[3-(trifluoromethyl)-1H-pyrazol-5-yl]-1,2,3,6-tetrahydropyridine

C9H10F3N3 — CID 142088607

IUPAC6-[3-(trifluoromethyl)-1H-pyrazol-5-yl]-1,2,3,6-tetrahydropyridine
SMILESFC(F)(F)c1cc(C2C=CCCN2)[nH]n1
InChIInChI=1S/C9H10F3N3/c10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6/h1,3,5-6,13H,2,4H2,(H,14,15)
InChIKeyLJUQCEJZOJHMBH-UHFFFAOYSA-N
MW217.19 g/mol
LogP2.02
Rot. Bonds1

About 6-[3-(trifluoromethyl)-1H-pyrazol-5-yl]-1,2,3,6-tetrahydropyridine

6-[3-(trifluoromethyl)-1H-pyrazol-5-yl]-1,2,3,6-tetrahydropyridine (PubChem CID 142088607) has the molecular formula C9H10F3N3 and a molecular weight of 217.19 g/mol. Its IUPAC name is 6-[3-(trifluoromethyl)-1H-pyrazol-5-yl]-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name6-[3-(trifluoromethyl)-1H-pyrazol-5-yl]-1,2,3,6-tetrahydropyridine
PubChem CID142088607
Molecular FormulaC9H10F3N3
Molecular Weight217.19 g/mol
Exact Mass217.08
IUPAC Name6-[3-(trifluoromethyl)-1H-pyrazol-5-yl]-1,2,3,6-tetrahydropyridine
SMILESFC(F)(F)c1cc(C2C=CCCN2)[nH]n1
InChIInChI=1S/C9H10F3N3/c10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6/h1,3,5-6,13H,2,4H2,(H,14,15)
InChIKeyLJUQCEJZOJHMBH-UHFFFAOYSA-N
XLogP2.02
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(trifluoromethyl)-1H-pyrazol-5-yl]-1,2,3,6-tetrahydropyridine?
The IUPAC name of 6-[3-(trifluoromethyl)-1H-pyrazol-5-yl]-1,2,3,6-tetrahydropyridine (CID 142088607) is 6-[3-(trifluoromethyl)-1H-pyrazol-5-yl]-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 6-[3-(trifluoromethyl)-1H-pyrazol-5-yl]-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 6-[3-(trifluoromethyl)-1H-pyrazol-5-yl]-1,2,3,6-tetrahydropyridine is FC(F)(F)c1cc(C2C=CCCN2)[nH]n1.
What is the InChIKey of 6-[3-(trifluoromethyl)-1H-pyrazol-5-yl]-1,2,3,6-tetrahydropyridine?
The InChIKey is LJUQCEJZOJHMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3/c10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6/h1,3,5-6,13H,2,4H2,(H,14,15).
What are the key properties of 6-[3-(trifluoromethyl)-1H-pyrazol-5-yl]-1,2,3,6-tetrahydropyridine?
6-[3-(trifluoromethyl)-1H-pyrazol-5-yl]-1,2,3,6-tetrahydropyridine has a molecular weight of 217.19 g/mol, XLogP of 2.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(trifluoromethyl)-1H-pyrazol-5-yl]-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 142088607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).