2-methylsulfonyl-1-(2-phenylpyrazol-3-yl)ethanol

C12H14N2O3S — CID 107332340

IUPAC2-methylsulfonyl-1-(2-phenylpyrazol-3-yl)ethanol
SMILESCS(=O)(=O)CC(O)c1ccnn1-c1ccccc1
InChIInChI=1S/C12H14N2O3S/c1-18(16,17)9-12(15)11-7-8-13-14(11)10-5-3-2-4-6-10/h2-8,12,15H,9H2,1H3
InChIKeyNIBCBMABPHQQTQ-UHFFFAOYSA-N
MW266.32 g/mol
LogP0.95
Rot. Bonds4

About 2-methylsulfonyl-1-(2-phenylpyrazol-3-yl)ethanol

2-methylsulfonyl-1-(2-phenylpyrazol-3-yl)ethanol (PubChem CID 107332340) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-methylsulfonyl-1-(2-phenylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name2-methylsulfonyl-1-(2-phenylpyrazol-3-yl)ethanol
PubChem CID107332340
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name2-methylsulfonyl-1-(2-phenylpyrazol-3-yl)ethanol
SMILESCS(=O)(=O)CC(O)c1ccnn1-c1ccccc1
InChIInChI=1S/C12H14N2O3S/c1-18(16,17)9-12(15)11-7-8-13-14(11)10-5-3-2-4-6-10/h2-8,12,15H,9H2,1H3
InChIKeyNIBCBMABPHQQTQ-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

N-methyl-2-methylsulfonyl-1-(2-phenylpyrazol-3-yl)ethanamine
CID 107331976
1-(2-ethylpyrazol-3-yl)-2-methylsulfonylethanol
CID 115622254
2-(ethylamino)-1-(2-phenylpyrazol-3-yl)ethanol
CID 107331439
3,3,3-trifluoro-1-(2-phenylpyrazol-3-yl)propan-1-ol
CID 107330304
2-(3-methylphenyl)-1-(2-phenylpyrazol-3-yl)ethanol
CID 107330309
2-(2-bromophenyl)-1-(2-phenylpyrazol-3-yl)ethanol
CID 107330322
2,3-dimethyl-1-(2-phenylpyrazol-3-yl)butan-1-ol
CID 107332293
(2-methylcyclopropyl)-(2-phenylpyrazol-3-yl)methanol
CID 107330350
1-(2-phenylpyrazol-3-yl)-3-pyridin-2-ylpropan-1-ol
CID 107332285
2,2-difluoro-1-(2-phenylpyrazol-3-yl)ethanol
CID 107330398
2-(2-phenylpyrazol-3-yl)propan-1-amine
CID 105453704
(2-aminophenyl)-(2-phenylpyrazol-3-yl)methanol
CID 107330329

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-1-(2-phenylpyrazol-3-yl)ethanol?
The IUPAC name of 2-methylsulfonyl-1-(2-phenylpyrazol-3-yl)ethanol (CID 107332340) is 2-methylsulfonyl-1-(2-phenylpyrazol-3-yl)ethanol.
What is the SMILES notation for 2-methylsulfonyl-1-(2-phenylpyrazol-3-yl)ethanol?
The canonical SMILES for 2-methylsulfonyl-1-(2-phenylpyrazol-3-yl)ethanol is CS(=O)(=O)CC(O)c1ccnn1-c1ccccc1.
What is the InChIKey of 2-methylsulfonyl-1-(2-phenylpyrazol-3-yl)ethanol?
The InChIKey is NIBCBMABPHQQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-18(16,17)9-12(15)11-7-8-13-14(11)10-5-3-2-4-6-10/h2-8,12,15H,9H2,1H3.
What are the key properties of 2-methylsulfonyl-1-(2-phenylpyrazol-3-yl)ethanol?
2-methylsulfonyl-1-(2-phenylpyrazol-3-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-methylsulfonyl-1-(2-phenylpyrazol-3-yl)ethanol is sourced from PubChem (CID 107332340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).