2-(1H-pyrazol-5-yl)-5-[[3-(trifluoromethylsulfanyl)phenyl]methoxy]pyridine

C16H12F3N3OS — CID 155790631

IUPAC2-(1H-pyrazol-5-yl)-5-[[3-(trifluoromethylsulfanyl)phenyl]methoxy]pyridine
SMILESFC(F)(F)Sc1cccc(COc2ccc(-c3ccn[nH]3)nc2)c1
InChIInChI=1S/C16H12F3N3OS/c17-16(18,19)24-13-3-1-2-11(8-13)10-23-12-4-5-14(20-9-12)15-6-7-21-22-15/h1-9H,10H2,(H,21,22)
InChIKeyNTLQVYSMAVYRAN-UHFFFAOYSA-N
MW351.35 g/mol
LogP4.66
Rot. Bonds5

About 2-(1H-pyrazol-5-yl)-5-[[3-(trifluoromethylsulfanyl)phenyl]methoxy]pyridine

2-(1H-pyrazol-5-yl)-5-[[3-(trifluoromethylsulfanyl)phenyl]methoxy]pyridine (PubChem CID 155790631) has the molecular formula C16H12F3N3OS and a molecular weight of 351.35 g/mol. Its IUPAC name is 2-(1H-pyrazol-5-yl)-5-[[3-(trifluoromethylsulfanyl)phenyl]methoxy]pyridine.

Molecular Properties

Compound Name2-(1H-pyrazol-5-yl)-5-[[3-(trifluoromethylsulfanyl)phenyl]methoxy]pyridine
PubChem CID155790631
Molecular FormulaC16H12F3N3OS
Molecular Weight351.35 g/mol
Exact Mass351.07
IUPAC Name2-(1H-pyrazol-5-yl)-5-[[3-(trifluoromethylsulfanyl)phenyl]methoxy]pyridine
SMILESFC(F)(F)Sc1cccc(COc2ccc(-c3ccn[nH]3)nc2)c1
InChIInChI=1S/C16H12F3N3OS/c17-16(18,19)24-13-3-1-2-11(8-13)10-23-12-4-5-14(20-9-12)15-6-7-21-22-15/h1-9H,10H2,(H,21,22)
InChIKeyNTLQVYSMAVYRAN-UHFFFAOYSA-N
XLogP4.66
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.35
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1H-pyrazol-5-yl)-5-[[3-(trifluoromethylsulfanyl)phenyl]methoxy]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 2-(1H-pyrazol-5-yl)-5-[[3-(trifluoromethylsulfanyl)phenyl]methoxy]pyridine?
The IUPAC name of 2-(1H-pyrazol-5-yl)-5-[[3-(trifluoromethylsulfanyl)phenyl]methoxy]pyridine (CID 155790631) is 2-(1H-pyrazol-5-yl)-5-[[3-(trifluoromethylsulfanyl)phenyl]methoxy]pyridine.
What is the SMILES notation for 2-(1H-pyrazol-5-yl)-5-[[3-(trifluoromethylsulfanyl)phenyl]methoxy]pyridine?
The canonical SMILES for 2-(1H-pyrazol-5-yl)-5-[[3-(trifluoromethylsulfanyl)phenyl]methoxy]pyridine is FC(F)(F)Sc1cccc(COc2ccc(-c3ccn[nH]3)nc2)c1.
What is the InChIKey of 2-(1H-pyrazol-5-yl)-5-[[3-(trifluoromethylsulfanyl)phenyl]methoxy]pyridine?
The InChIKey is NTLQVYSMAVYRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3OS/c17-16(18,19)24-13-3-1-2-11(8-13)10-23-12-4-5-14(20-9-12)15-6-7-21-22-15/h1-9H,10H2,(H,21,22).
What are the key properties of 2-(1H-pyrazol-5-yl)-5-[[3-(trifluoromethylsulfanyl)phenyl]methoxy]pyridine?
2-(1H-pyrazol-5-yl)-5-[[3-(trifluoromethylsulfanyl)phenyl]methoxy]pyridine has a molecular weight of 351.35 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrazol-5-yl)-5-[[3-(trifluoromethylsulfanyl)phenyl]methoxy]pyridine is sourced from PubChem (CID 155790631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).