[3,5-difluoro-4-(1-methylpyrazol-4-yl)sulfanylphenyl]methanol

C11H10F2N2OS — CID 55240251

IUPAC[3,5-difluoro-4-(1-methylpyrazol-4-yl)sulfanylphenyl]methanol
SMILESCn1cc(Sc2c(F)cc(CO)cc2F)cn1
InChIInChI=1S/C11H10F2N2OS/c1-15-5-8(4-14-15)17-11-9(12)2-7(6-16)3-10(11)13/h2-5,16H,6H2,1H3
InChIKeyWJHRATKBBCNKLV-UHFFFAOYSA-N
MW256.28 g/mol
LogP2.34
Rot. Bonds3

About [3,5-difluoro-4-(1-methylpyrazol-4-yl)sulfanylphenyl]methanol

[3,5-difluoro-4-(1-methylpyrazol-4-yl)sulfanylphenyl]methanol (PubChem CID 55240251) has the molecular formula C11H10F2N2OS and a molecular weight of 256.28 g/mol. Its IUPAC name is [3,5-difluoro-4-(1-methylpyrazol-4-yl)sulfanylphenyl]methanol.

Molecular Properties

Compound Name[3,5-difluoro-4-(1-methylpyrazol-4-yl)sulfanylphenyl]methanol
PubChem CID55240251
Molecular FormulaC11H10F2N2OS
Molecular Weight256.28 g/mol
Exact Mass256.05
IUPAC Name[3,5-difluoro-4-(1-methylpyrazol-4-yl)sulfanylphenyl]methanol
SMILESCn1cc(Sc2c(F)cc(CO)cc2F)cn1
InChIInChI=1S/C11H10F2N2OS/c1-15-5-8(4-14-15)17-11-9(12)2-7(6-16)3-10(11)13/h2-5,16H,6H2,1H3
InChIKeyWJHRATKBBCNKLV-UHFFFAOYSA-N
XLogP2.34
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3,5-difluoro-4-(1-methylpyrazol-4-yl)sulfanylphenyl]methanol 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

3,5-difluoro-4-(1-methylpyrazol-4-yl)sulfanylbenzenecarboximidamide
CID 81293289
[3-methyl-4-(1-methylpyrazol-4-yl)sulfanylphenyl]methanol
CID 63835210
(3,5-difluoro-4-pyrimidin-2-ylsulfanylphenyl)methanol
CID 63813721
[3-fluoro-5-(1-methylpyrazol-4-yl)oxyphenyl]methanol
CID 106530236
(1S)-1-[3-fluoro-4-(1-methylpyrazol-4-yl)sulfanylphenyl]ethanamine
CID 78938882
(1S)-1-[5-fluoro-2-(1-methylpyrazol-4-yl)sulfanylphenyl]ethanol
CID 63835113
5-fluoro-4-methoxy-2-(1-methylpyrazol-4-yl)sulfanylaniline
CID 63600024
6-(1-methylpyrazol-4-yl)sulfanylpyrimidine-2,4-diamine
CID 80892034
[3-fluoro-5-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol
CID 103003622
S-(1-methylpyrazol-4-yl)thiohydroxylamine
CID 134606246
N-ethyl-6-(1-methylpyrazol-4-yl)sulfanyl-2-methylsulfanylpyrimidin-4-amine
CID 80892324
methyl 2-[2,6-difluoro-4-(hydroxymethyl)phenyl]sulfanylacetate
CID 63835391

Frequently Asked Questions

What is the IUPAC name of [3,5-difluoro-4-(1-methylpyrazol-4-yl)sulfanylphenyl]methanol?
The IUPAC name of [3,5-difluoro-4-(1-methylpyrazol-4-yl)sulfanylphenyl]methanol (CID 55240251) is [3,5-difluoro-4-(1-methylpyrazol-4-yl)sulfanylphenyl]methanol.
What is the SMILES notation for [3,5-difluoro-4-(1-methylpyrazol-4-yl)sulfanylphenyl]methanol?
The canonical SMILES for [3,5-difluoro-4-(1-methylpyrazol-4-yl)sulfanylphenyl]methanol is Cn1cc(Sc2c(F)cc(CO)cc2F)cn1.
What is the InChIKey of [3,5-difluoro-4-(1-methylpyrazol-4-yl)sulfanylphenyl]methanol?
The InChIKey is WJHRATKBBCNKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2OS/c1-15-5-8(4-14-15)17-11-9(12)2-7(6-16)3-10(11)13/h2-5,16H,6H2,1H3.
What are the key properties of [3,5-difluoro-4-(1-methylpyrazol-4-yl)sulfanylphenyl]methanol?
[3,5-difluoro-4-(1-methylpyrazol-4-yl)sulfanylphenyl]methanol has a molecular weight of 256.28 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-difluoro-4-(1-methylpyrazol-4-yl)sulfanylphenyl]methanol is sourced from PubChem (CID 55240251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).