3-(1,1,2,2,2-pentafluoroethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

C8H8F5N3 — CID 58617572

IUPAC3-(1,1,2,2,2-pentafluoroethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
SMILESFC(F)(F)C(F)(F)c1n[nH]c2c1CNCC2
InChIInChI=1S/C8H8F5N3/c9-7(10,8(11,12)13)6-4-3-14-2-1-5(4)15-16-6/h14H,1-3H2,(H,15,16)
InChIKeyOCUTYYAQUROZLM-UHFFFAOYSA-N
MW241.16 g/mol
LogP1.71
Rot. Bonds1

About 3-(1,1,2,2,2-pentafluoroethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

3-(1,1,2,2,2-pentafluoroethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine (PubChem CID 58617572) has the molecular formula C8H8F5N3 and a molecular weight of 241.16 g/mol. Its IUPAC name is 3-(1,1,2,2,2-pentafluoroethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(1,1,2,2,2-pentafluoroethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
PubChem CID58617572
Molecular FormulaC8H8F5N3
Molecular Weight241.16 g/mol
Exact Mass241.06
IUPAC Name3-(1,1,2,2,2-pentafluoroethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
SMILESFC(F)(F)C(F)(F)c1n[nH]c2c1CNCC2
InChIInChI=1S/C8H8F5N3/c9-7(10,8(11,12)13)6-4-3-14-2-1-5(4)15-16-6/h14H,1-3H2,(H,15,16)
InChIKeyOCUTYYAQUROZLM-UHFFFAOYSA-N
XLogP1.71
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.16
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1,2,2,2-pentafluoroethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(1,1,2,2,2-pentafluoroethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine (CID 58617572) is 3-(1,1,2,2,2-pentafluoroethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(1,1,2,2,2-pentafluoroethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(1,1,2,2,2-pentafluoroethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine is FC(F)(F)C(F)(F)c1n[nH]c2c1CNCC2.
What is the InChIKey of 3-(1,1,2,2,2-pentafluoroethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The InChIKey is OCUTYYAQUROZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F5N3/c9-7(10,8(11,12)13)6-4-3-14-2-1-5(4)15-16-6/h14H,1-3H2,(H,15,16).
What are the key properties of 3-(1,1,2,2,2-pentafluoroethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
3-(1,1,2,2,2-pentafluoroethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine has a molecular weight of 241.16 g/mol, XLogP of 1.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,2,2,2-pentafluoroethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 58617572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).