[1-(3-chloro-2-fluorophenyl)-5-pyridin-3-ylsulfanylpyrazol-3-yl]methanol

C15H11ClFN3OS — CID 68922841

IUPAC[1-(3-chloro-2-fluorophenyl)-5-pyridin-3-ylsulfanylpyrazol-3-yl]methanol
SMILESOCc1cc(Sc2cccnc2)n(-c2cccc(Cl)c2F)n1
InChIInChI=1S/C15H11ClFN3OS/c16-12-4-1-5-13(15(12)17)20-14(7-10(9-21)19-20)22-11-3-2-6-18-8-11/h1-8,21H,9H2
InChIKeyQJMIDHFZHBUYRF-UHFFFAOYSA-N
MW335.79 g/mol
LogP3.70
Rot. Bonds4

About [1-(3-chloro-2-fluorophenyl)-5-pyridin-3-ylsulfanylpyrazol-3-yl]methanol

[1-(3-chloro-2-fluorophenyl)-5-pyridin-3-ylsulfanylpyrazol-3-yl]methanol (PubChem CID 68922841) has the molecular formula C15H11ClFN3OS and a molecular weight of 335.79 g/mol. Its IUPAC name is [1-(3-chloro-2-fluorophenyl)-5-pyridin-3-ylsulfanylpyrazol-3-yl]methanol.

Molecular Properties

Compound Name[1-(3-chloro-2-fluorophenyl)-5-pyridin-3-ylsulfanylpyrazol-3-yl]methanol
PubChem CID68922841
Molecular FormulaC15H11ClFN3OS
Molecular Weight335.79 g/mol
Exact Mass335.03
IUPAC Name[1-(3-chloro-2-fluorophenyl)-5-pyridin-3-ylsulfanylpyrazol-3-yl]methanol
SMILESOCc1cc(Sc2cccnc2)n(-c2cccc(Cl)c2F)n1
InChIInChI=1S/C15H11ClFN3OS/c16-12-4-1-5-13(15(12)17)20-14(7-10(9-21)19-20)22-11-3-2-6-18-8-11/h1-8,21H,9H2
InChIKeyQJMIDHFZHBUYRF-UHFFFAOYSA-N
XLogP3.70
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(3-chloro-2-fluorophenyl)-5-pyridin-3-ylsulfanylpyrazol-3-yl]methanol 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 [1-(3-chloro-2-fluorophenyl)-5-pyridin-3-ylsulfanylpyrazol-3-yl]methanol?
The IUPAC name of [1-(3-chloro-2-fluorophenyl)-5-pyridin-3-ylsulfanylpyrazol-3-yl]methanol (CID 68922841) is [1-(3-chloro-2-fluorophenyl)-5-pyridin-3-ylsulfanylpyrazol-3-yl]methanol.
What is the SMILES notation for [1-(3-chloro-2-fluorophenyl)-5-pyridin-3-ylsulfanylpyrazol-3-yl]methanol?
The canonical SMILES for [1-(3-chloro-2-fluorophenyl)-5-pyridin-3-ylsulfanylpyrazol-3-yl]methanol is OCc1cc(Sc2cccnc2)n(-c2cccc(Cl)c2F)n1.
What is the InChIKey of [1-(3-chloro-2-fluorophenyl)-5-pyridin-3-ylsulfanylpyrazol-3-yl]methanol?
The InChIKey is QJMIDHFZHBUYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3OS/c16-12-4-1-5-13(15(12)17)20-14(7-10(9-21)19-20)22-11-3-2-6-18-8-11/h1-8,21H,9H2.
What are the key properties of [1-(3-chloro-2-fluorophenyl)-5-pyridin-3-ylsulfanylpyrazol-3-yl]methanol?
[1-(3-chloro-2-fluorophenyl)-5-pyridin-3-ylsulfanylpyrazol-3-yl]methanol has a molecular weight of 335.79 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-2-fluorophenyl)-5-pyridin-3-ylsulfanylpyrazol-3-yl]methanol is sourced from PubChem (CID 68922841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).