3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-b]pyridine

C7H8F3N3 — CID 71440199

IUPAC3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-b]pyridine
SMILESFC(F)(F)c1n[nH]c2c1NCCC2
InChIInChI=1S/C7H8F3N3/c8-7(9,10)6-5-4(12-13-6)2-1-3-11-5/h11H,1-3H2,(H,12,13)
InChIKeyUCPNQNVTGXEXMV-UHFFFAOYSA-N
MW191.16 g/mol
LogP1.79
Rot. Bonds

About 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-b]pyridine

3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-b]pyridine (PubChem CID 71440199) has the molecular formula C7H8F3N3 and a molecular weight of 191.16 g/mol. Its IUPAC name is 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-b]pyridine
PubChem CID71440199
Molecular FormulaC7H8F3N3
Molecular Weight191.16 g/mol
Exact Mass191.07
IUPAC Name3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-b]pyridine
SMILESFC(F)(F)c1n[nH]c2c1NCCC2
InChIInChI=1S/C7H8F3N3/c8-7(9,10)6-5-4(12-13-6)2-1-3-11-5/h11H,1-3H2,(H,12,13)
InChIKeyUCPNQNVTGXEXMV-UHFFFAOYSA-N
XLogP1.79
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.16
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-b]pyridine?
The IUPAC name of 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-b]pyridine (CID 71440199) is 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-b]pyridine.
What is the SMILES notation for 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-b]pyridine?
The canonical SMILES for 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-b]pyridine is FC(F)(F)c1n[nH]c2c1NCCC2.
What is the InChIKey of 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-b]pyridine?
The InChIKey is UCPNQNVTGXEXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3/c8-7(9,10)6-5-4(12-13-6)2-1-3-11-5/h11H,1-3H2,(H,12,13).
What are the key properties of 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-b]pyridine?
3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 191.16 g/mol, XLogP of 1.79, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 71440199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).