2-[(1-phenylpyrazol-4-yl)methylsulfonyl]ethanol

C12H14N2O3S — CID 86779048

IUPAC2-[(1-phenylpyrazol-4-yl)methylsulfonyl]ethanol
SMILESO=S(=O)(CCO)Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C12H14N2O3S/c15-6-7-18(16,17)10-11-8-13-14(9-11)12-4-2-1-3-5-12/h1-5,8-9,15H,6-7,10H2
InChIKeyYOZKYBLIXJARKZ-UHFFFAOYSA-N
MW266.32 g/mol
LogP0.78
Rot. Bonds5

About 2-[(1-phenylpyrazol-4-yl)methylsulfonyl]ethanol

2-[(1-phenylpyrazol-4-yl)methylsulfonyl]ethanol (PubChem CID 86779048) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-[(1-phenylpyrazol-4-yl)methylsulfonyl]ethanol.

Molecular Properties

Compound Name2-[(1-phenylpyrazol-4-yl)methylsulfonyl]ethanol
PubChem CID86779048
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name2-[(1-phenylpyrazol-4-yl)methylsulfonyl]ethanol
SMILESO=S(=O)(CCO)Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C12H14N2O3S/c15-6-7-18(16,17)10-11-8-13-14(9-11)12-4-2-1-3-5-12/h1-5,8-9,15H,6-7,10H2
InChIKeyYOZKYBLIXJARKZ-UHFFFAOYSA-N
XLogP0.78
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-oxo-3-(1-phenylpyrazol-4-yl)propanoic acid
CID 16787671
N-[(1-phenylpyrazol-4-yl)methyl]propane-1-sulfonamide
CID 61383755
(2R)-2-methylsulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 94024990
4-(2-chloroethyl)-1-phenylpyrazole
CID 64867718
1-phenyl-4-propylpyrazole
CID 12902534
2-(1-phenylpyrazol-4-yl)ethanethiol
CID 134448199
[4-[(1-phenylpyrazol-3-yl)methylsulfonylmethyl]phenyl]methanol
CID 110005750
2-(1-phenylpyrazol-4-yl)ethanimidamide
CID 83880704
1-[2-(benzenesulfonyl)ethyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 87038386
N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 17491199
2-N,6-N-bis[(1-phenylpyrazol-4-yl)methyl]pyridine-2,6-dicarboxamide
CID 39058604
5-tert-butyl-3-[(1-phenylpyrazol-4-yl)methylsulfonyl]-1H-1,2,4-triazole
CID 99843314

Frequently Asked Questions

What is the IUPAC name of 2-[(1-phenylpyrazol-4-yl)methylsulfonyl]ethanol?
The IUPAC name of 2-[(1-phenylpyrazol-4-yl)methylsulfonyl]ethanol (CID 86779048) is 2-[(1-phenylpyrazol-4-yl)methylsulfonyl]ethanol.
What is the SMILES notation for 2-[(1-phenylpyrazol-4-yl)methylsulfonyl]ethanol?
The canonical SMILES for 2-[(1-phenylpyrazol-4-yl)methylsulfonyl]ethanol is O=S(=O)(CCO)Cc1cnn(-c2ccccc2)c1.
What is the InChIKey of 2-[(1-phenylpyrazol-4-yl)methylsulfonyl]ethanol?
The InChIKey is YOZKYBLIXJARKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c15-6-7-18(16,17)10-11-8-13-14(9-11)12-4-2-1-3-5-12/h1-5,8-9,15H,6-7,10H2.
What are the key properties of 2-[(1-phenylpyrazol-4-yl)methylsulfonyl]ethanol?
2-[(1-phenylpyrazol-4-yl)methylsulfonyl]ethanol has a molecular weight of 266.32 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-phenylpyrazol-4-yl)methylsulfonyl]ethanol is sourced from PubChem (CID 86779048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).