3-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]phenyl]sulfonylpropan-1-ol

C18H17FN2O3S — CID 70297599

IUPAC3-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]phenyl]sulfonylpropan-1-ol
SMILESO=S(=O)(CCCO)c1ccc(-c2cc(-c3ccc(F)cc3)[nH]n2)cc1
InChIInChI=1S/C18H17FN2O3S/c19-15-6-2-13(3-7-15)17-12-18(21-20-17)14-4-8-16(9-5-14)25(23,24)11-1-10-22/h2-9,12,22H,1,10-11H2,(H,20,21)
InChIKeyWRAUNADDEZFMHP-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.04
Rot. Bonds6

About 3-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]phenyl]sulfonylpropan-1-ol

3-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]phenyl]sulfonylpropan-1-ol (PubChem CID 70297599) has the molecular formula C18H17FN2O3S and a molecular weight of 360.41 g/mol. Its IUPAC name is 3-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]phenyl]sulfonylpropan-1-ol.

Molecular Properties

Compound Name3-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]phenyl]sulfonylpropan-1-ol
PubChem CID70297599
Molecular FormulaC18H17FN2O3S
Molecular Weight360.41 g/mol
Exact Mass360.09
IUPAC Name3-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]phenyl]sulfonylpropan-1-ol
SMILESO=S(=O)(CCCO)c1ccc(-c2cc(-c3ccc(F)cc3)[nH]n2)cc1
InChIInChI=1S/C18H17FN2O3S/c19-15-6-2-13(3-7-15)17-12-18(21-20-17)14-4-8-16(9-5-14)25(23,24)11-1-10-22/h2-9,12,22H,1,10-11H2,(H,20,21)
InChIKeyWRAUNADDEZFMHP-UHFFFAOYSA-N
XLogP3.04
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]phenyl]sulfonylpropan-1-ol 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 3-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]phenyl]sulfonylpropan-1-ol?
The IUPAC name of 3-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]phenyl]sulfonylpropan-1-ol (CID 70297599) is 3-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]phenyl]sulfonylpropan-1-ol.
What is the SMILES notation for 3-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]phenyl]sulfonylpropan-1-ol?
The canonical SMILES for 3-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]phenyl]sulfonylpropan-1-ol is O=S(=O)(CCCO)c1ccc(-c2cc(-c3ccc(F)cc3)[nH]n2)cc1.
What is the InChIKey of 3-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]phenyl]sulfonylpropan-1-ol?
The InChIKey is WRAUNADDEZFMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3S/c19-15-6-2-13(3-7-15)17-12-18(21-20-17)14-4-8-16(9-5-14)25(23,24)11-1-10-22/h2-9,12,22H,1,10-11H2,(H,20,21).
What are the key properties of 3-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]phenyl]sulfonylpropan-1-ol?
3-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]phenyl]sulfonylpropan-1-ol has a molecular weight of 360.41 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]phenyl]sulfonylpropan-1-ol is sourced from PubChem (CID 70297599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).