4-[4-(4-fluorophenyl)sulfanyl-1H-pyrazol-5-yl]benzene-1,3-diol

C15H11FN2O2S — CID 135487321

IUPAC4-[4-(4-fluorophenyl)sulfanyl-1H-pyrazol-5-yl]benzene-1,3-diol
SMILESOc1ccc(-c2[nH]ncc2Sc2ccc(F)cc2)c(O)c1
InChIInChI=1S/C15H11FN2O2S/c16-9-1-4-11(5-2-9)21-14-8-17-18-15(14)12-6-3-10(19)7-13(12)20/h1-8,19-20H,(H,17,18)
InChIKeyCYIXALHWLQXGPS-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.78
Rot. Bonds3

About 4-[4-(4-fluorophenyl)sulfanyl-1H-pyrazol-5-yl]benzene-1,3-diol

4-[4-(4-fluorophenyl)sulfanyl-1H-pyrazol-5-yl]benzene-1,3-diol (PubChem CID 135487321) has the molecular formula C15H11FN2O2S and a molecular weight of 302.33 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)sulfanyl-1H-pyrazol-5-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)sulfanyl-1H-pyrazol-5-yl]benzene-1,3-diol
PubChem CID135487321
Molecular FormulaC15H11FN2O2S
Molecular Weight302.33 g/mol
Exact Mass302.05
IUPAC Name4-[4-(4-fluorophenyl)sulfanyl-1H-pyrazol-5-yl]benzene-1,3-diol
SMILESOc1ccc(-c2[nH]ncc2Sc2ccc(F)cc2)c(O)c1
InChIInChI=1S/C15H11FN2O2S/c16-9-1-4-11(5-2-9)21-14-8-17-18-15(14)12-6-3-10(19)7-13(12)20/h1-8,19-20H,(H,17,18)
InChIKeyCYIXALHWLQXGPS-UHFFFAOYSA-N
XLogP3.78
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[4-(4-fluorophenyl)sulfanyl-1H-pyrazol-5-yl]benzene-1,3-diol with MolForge

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

Launch Full Analysis

Related Compounds

4-(2,4-difluorophenyl)sulfanylphenol
CID 177164297
4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-5-yl]benzene-1,3-diol
CID 3401002
4-(4-fluoro-2-nitrophenyl)sulfanylphenol
CID 54910892
4-(5-amino-1H-pyrazol-4-yl)-3-fluorophenol
CID 117283395
6-(4-fluoro-2-hydroxyphenyl)pyridin-3-ol
CID 135741749
5-(4-fluorophenyl)sulfanyl-1H-pyridazin-6-one
CID 91425814
3-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]phenol
CID 46998465
4-(4-fluorophenyl)sulfanyl-6-methylpyridine-3-carboxylic acid
CID 81238999
N-[[5-(2-chloro-4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 79484685
[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methanamine
CID 79488160
4-chloro-5-(2,4-difluorophenyl)-1H-pyrazole
CID 61395010
5-(2-fluorophenyl)-1H-pyrazol-4-ol
CID 105437297

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)sulfanyl-1H-pyrazol-5-yl]benzene-1,3-diol?
The IUPAC name of 4-[4-(4-fluorophenyl)sulfanyl-1H-pyrazol-5-yl]benzene-1,3-diol (CID 135487321) is 4-[4-(4-fluorophenyl)sulfanyl-1H-pyrazol-5-yl]benzene-1,3-diol.
What is the SMILES notation for 4-[4-(4-fluorophenyl)sulfanyl-1H-pyrazol-5-yl]benzene-1,3-diol?
The canonical SMILES for 4-[4-(4-fluorophenyl)sulfanyl-1H-pyrazol-5-yl]benzene-1,3-diol is Oc1ccc(-c2[nH]ncc2Sc2ccc(F)cc2)c(O)c1.
What is the InChIKey of 4-[4-(4-fluorophenyl)sulfanyl-1H-pyrazol-5-yl]benzene-1,3-diol?
The InChIKey is CYIXALHWLQXGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2S/c16-9-1-4-11(5-2-9)21-14-8-17-18-15(14)12-6-3-10(19)7-13(12)20/h1-8,19-20H,(H,17,18).
What are the key properties of 4-[4-(4-fluorophenyl)sulfanyl-1H-pyrazol-5-yl]benzene-1,3-diol?
4-[4-(4-fluorophenyl)sulfanyl-1H-pyrazol-5-yl]benzene-1,3-diol has a molecular weight of 302.33 g/mol, XLogP of 3.78, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)sulfanyl-1H-pyrazol-5-yl]benzene-1,3-diol is sourced from PubChem (CID 135487321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).