2-[4-benzyl-5-(4-methylsulfonylphenyl)pyrazol-1-yl]ethanol

C19H20N2O3S — CID 18768681

IUPAC2-[4-benzyl-5-(4-methylsulfonylphenyl)pyrazol-1-yl]ethanol
SMILESCS(=O)(=O)c1ccc(-c2c(Cc3ccccc3)cnn2CCO)cc1
InChIInChI=1S/C19H20N2O3S/c1-25(23,24)18-9-7-16(8-10-18)19-17(14-20-21(19)11-12-22)13-15-5-3-2-4-6-15/h2-10,14,22H,11-13H2,1H3
InChIKeyNNMGRXOEIQFTKU-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.54
Rot. Bonds6

About 2-[4-benzyl-5-(4-methylsulfonylphenyl)pyrazol-1-yl]ethanol

2-[4-benzyl-5-(4-methylsulfonylphenyl)pyrazol-1-yl]ethanol (PubChem CID 18768681) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is 2-[4-benzyl-5-(4-methylsulfonylphenyl)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-benzyl-5-(4-methylsulfonylphenyl)pyrazol-1-yl]ethanol
PubChem CID18768681
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name2-[4-benzyl-5-(4-methylsulfonylphenyl)pyrazol-1-yl]ethanol
SMILESCS(=O)(=O)c1ccc(-c2c(Cc3ccccc3)cnn2CCO)cc1
InChIInChI=1S/C19H20N2O3S/c1-25(23,24)18-9-7-16(8-10-18)19-17(14-20-21(19)11-12-22)13-15-5-3-2-4-6-15/h2-10,14,22H,11-13H2,1H3
InChIKeyNNMGRXOEIQFTKU-UHFFFAOYSA-N
XLogP2.54
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-benzyl-5-(4-methylsulfonylphenyl)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-benzyl-5-(4-methylsulfonylphenyl)pyrazol-1-yl]ethanol (CID 18768681) is 2-[4-benzyl-5-(4-methylsulfonylphenyl)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-benzyl-5-(4-methylsulfonylphenyl)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-benzyl-5-(4-methylsulfonylphenyl)pyrazol-1-yl]ethanol is CS(=O)(=O)c1ccc(-c2c(Cc3ccccc3)cnn2CCO)cc1.
What is the InChIKey of 2-[4-benzyl-5-(4-methylsulfonylphenyl)pyrazol-1-yl]ethanol?
The InChIKey is NNMGRXOEIQFTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-25(23,24)18-9-7-16(8-10-18)19-17(14-20-21(19)11-12-22)13-15-5-3-2-4-6-15/h2-10,14,22H,11-13H2,1H3.
What are the key properties of 2-[4-benzyl-5-(4-methylsulfonylphenyl)pyrazol-1-yl]ethanol?
2-[4-benzyl-5-(4-methylsulfonylphenyl)pyrazol-1-yl]ethanol has a molecular weight of 356.45 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-benzyl-5-(4-methylsulfonylphenyl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 18768681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).