5-[2-(benzenesulfinyl)ethyl]-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

C15H16F3N3OS — CID 56787411

IUPAC5-[2-(benzenesulfinyl)ethyl]-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESO=S(CCN1CCc2[nH]nc(C(F)(F)F)c2C1)c1ccccc1
InChIInChI=1S/C15H16F3N3OS/c16-15(17,18)14-12-10-21(7-6-13(12)19-20-14)8-9-23(22)11-4-2-1-3-5-11/h1-5H,6-10H2,(H,19,20)
InChIKeyCTBDCQYWUXVJKZ-UHFFFAOYSA-N
MW343.37 g/mol
LogP2.59
Rot. Bonds4

About 5-[2-(benzenesulfinyl)ethyl]-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

5-[2-(benzenesulfinyl)ethyl]-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 56787411) has the molecular formula C15H16F3N3OS and a molecular weight of 343.37 g/mol. Its IUPAC name is 5-[2-(benzenesulfinyl)ethyl]-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name5-[2-(benzenesulfinyl)ethyl]-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID56787411
Molecular FormulaC15H16F3N3OS
Molecular Weight343.37 g/mol
Exact Mass343.10
IUPAC Name5-[2-(benzenesulfinyl)ethyl]-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESO=S(CCN1CCc2[nH]nc(C(F)(F)F)c2C1)c1ccccc1
InChIInChI=1S/C15H16F3N3OS/c16-15(17,18)14-12-10-21(7-6-13(12)19-20-14)8-9-23(22)11-4-2-1-3-5-11/h1-5H,6-10H2,(H,19,20)
InChIKeyCTBDCQYWUXVJKZ-UHFFFAOYSA-N
XLogP2.59
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[2-(benzenesulfinyl)ethyl]-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-(benzenesulfinyl)ethyl]-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 5-[2-(benzenesulfinyl)ethyl]-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 56787411) is 5-[2-(benzenesulfinyl)ethyl]-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 5-[2-(benzenesulfinyl)ethyl]-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 5-[2-(benzenesulfinyl)ethyl]-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is O=S(CCN1CCc2[nH]nc(C(F)(F)F)c2C1)c1ccccc1.
What is the InChIKey of 5-[2-(benzenesulfinyl)ethyl]-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is CTBDCQYWUXVJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3OS/c16-15(17,18)14-12-10-21(7-6-13(12)19-20-14)8-9-23(22)11-4-2-1-3-5-11/h1-5H,6-10H2,(H,19,20).
What are the key properties of 5-[2-(benzenesulfinyl)ethyl]-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
5-[2-(benzenesulfinyl)ethyl]-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 343.37 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(benzenesulfinyl)ethyl]-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 56787411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).