[3-chloro-2-(4-methylsulfonylpyrazol-1-yl)phenyl]methanol

C11H11ClN2O3S — CID 165479622

IUPAC[3-chloro-2-(4-methylsulfonylpyrazol-1-yl)phenyl]methanol
SMILESCS(=O)(=O)c1cnn(-c2c(Cl)cccc2CO)c1
InChIInChI=1S/C11H11ClN2O3S/c1-18(16,17)9-5-13-14(6-9)11-8(7-15)3-2-4-10(11)12/h2-6,15H,7H2,1H3
InChIKeyMMEQGENMMOOGNZ-UHFFFAOYSA-N
MW286.74 g/mol
LogP1.42
Rot. Bonds3

About [3-chloro-2-(4-methylsulfonylpyrazol-1-yl)phenyl]methanol

[3-chloro-2-(4-methylsulfonylpyrazol-1-yl)phenyl]methanol (PubChem CID 165479622) has the molecular formula C11H11ClN2O3S and a molecular weight of 286.74 g/mol. Its IUPAC name is [3-chloro-2-(4-methylsulfonylpyrazol-1-yl)phenyl]methanol.

Molecular Properties

Compound Name[3-chloro-2-(4-methylsulfonylpyrazol-1-yl)phenyl]methanol
PubChem CID165479622
Molecular FormulaC11H11ClN2O3S
Molecular Weight286.74 g/mol
Exact Mass286.02
IUPAC Name[3-chloro-2-(4-methylsulfonylpyrazol-1-yl)phenyl]methanol
SMILESCS(=O)(=O)c1cnn(-c2c(Cl)cccc2CO)c1
InChIInChI=1S/C11H11ClN2O3S/c1-18(16,17)9-5-13-14(6-9)11-8(7-15)3-2-4-10(11)12/h2-6,15H,7H2,1H3
InChIKeyMMEQGENMMOOGNZ-UHFFFAOYSA-N
XLogP1.42
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.74
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-chloro-2-(4-methylsulfonylpyrazol-1-yl)phenyl]methanol?
The IUPAC name of [3-chloro-2-(4-methylsulfonylpyrazol-1-yl)phenyl]methanol (CID 165479622) is [3-chloro-2-(4-methylsulfonylpyrazol-1-yl)phenyl]methanol.
What is the SMILES notation for [3-chloro-2-(4-methylsulfonylpyrazol-1-yl)phenyl]methanol?
The canonical SMILES for [3-chloro-2-(4-methylsulfonylpyrazol-1-yl)phenyl]methanol is CS(=O)(=O)c1cnn(-c2c(Cl)cccc2CO)c1.
What is the InChIKey of [3-chloro-2-(4-methylsulfonylpyrazol-1-yl)phenyl]methanol?
The InChIKey is MMEQGENMMOOGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3S/c1-18(16,17)9-5-13-14(6-9)11-8(7-15)3-2-4-10(11)12/h2-6,15H,7H2,1H3.
What are the key properties of [3-chloro-2-(4-methylsulfonylpyrazol-1-yl)phenyl]methanol?
[3-chloro-2-(4-methylsulfonylpyrazol-1-yl)phenyl]methanol has a molecular weight of 286.74 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-2-(4-methylsulfonylpyrazol-1-yl)phenyl]methanol is sourced from PubChem (CID 165479622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).