2-[4-(3-methylsulfonylphenyl)pyrazol-1-yl]ethanol

C12H14N2O3S — CID 172649274

IUPAC2-[4-(3-methylsulfonylphenyl)pyrazol-1-yl]ethanol
SMILESCS(=O)(=O)c1cccc(-c2cnn(CCO)c2)c1
InChIInChI=1S/C12H14N2O3S/c1-18(16,17)12-4-2-3-10(7-12)11-8-13-14(9-11)5-6-15/h2-4,7-9,15H,5-6H2,1H3
InChIKeyGJNJYQNYYITPAU-UHFFFAOYSA-N
MW266.32 g/mol
LogP0.95
Rot. Bonds4

About 2-[4-(3-methylsulfonylphenyl)pyrazol-1-yl]ethanol

2-[4-(3-methylsulfonylphenyl)pyrazol-1-yl]ethanol (PubChem CID 172649274) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-[4-(3-methylsulfonylphenyl)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(3-methylsulfonylphenyl)pyrazol-1-yl]ethanol
PubChem CID172649274
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name2-[4-(3-methylsulfonylphenyl)pyrazol-1-yl]ethanol
SMILESCS(=O)(=O)c1cccc(-c2cnn(CCO)c2)c1
InChIInChI=1S/C12H14N2O3S/c1-18(16,17)12-4-2-3-10(7-12)11-8-13-14(9-11)5-6-15/h2-4,7-9,15H,5-6H2,1H3
InChIKeyGJNJYQNYYITPAU-UHFFFAOYSA-N
XLogP0.95
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(3-methylsulfonylphenyl)pyrazol-1-yl]propan-1-amine
CID 164608356
1-methyl-4-[[4-(3-methylsulfonylphenyl)pyrazol-1-yl]methyl]pyrazole
CID 118864180
3-[1-(2-hydroxyethyl)pyrazol-4-yl]benzaldehyde
CID 172649272
[3-fluoro-4-[4-(3-methylsulfonylphenyl)pyrazol-1-yl]but-2-enyl] carbamate
CID 174990227
[(Z)-3-fluoro-4-[4-(3-methylsulfonylphenyl)pyrazol-1-yl]but-2-enyl] carbamate
CID 174990224
butanedioic acid;4-(3-methylsulfonylphenyl)-1-(1H-pyrazol-5-ylmethyl)pyrazole
CID 130446997
2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]ethanol
CID 94267593
[4-[1-(2-hydroxyethyl)pyrazol-4-yl]phenyl]boronic acid
CID 125497935
1-(3-methylsulfonylpropyl)-4-phenylpyrazole
CID 23594763
6-[4-(3-aminophenyl)pyrazol-1-yl]hexan-1-ol
CID 107703748
2-[4-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazol-1-yl]ethanol
CID 172649303
N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2,4-bis(methylsulfonyl)aniline
CID 133411678

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methylsulfonylphenyl)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-(3-methylsulfonylphenyl)pyrazol-1-yl]ethanol (CID 172649274) is 2-[4-(3-methylsulfonylphenyl)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-(3-methylsulfonylphenyl)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-(3-methylsulfonylphenyl)pyrazol-1-yl]ethanol is CS(=O)(=O)c1cccc(-c2cnn(CCO)c2)c1.
What is the InChIKey of 2-[4-(3-methylsulfonylphenyl)pyrazol-1-yl]ethanol?
The InChIKey is GJNJYQNYYITPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-18(16,17)12-4-2-3-10(7-12)11-8-13-14(9-11)5-6-15/h2-4,7-9,15H,5-6H2,1H3.
What are the key properties of 2-[4-(3-methylsulfonylphenyl)pyrazol-1-yl]ethanol?
2-[4-(3-methylsulfonylphenyl)pyrazol-1-yl]ethanol has a molecular weight of 266.32 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methylsulfonylphenyl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 172649274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).