(1R)-1-(3,4-difluorophenyl)-2-(4-methylsulfonylpyrazol-1-yl)ethanol

C12H12F2N2O3S — CID 164638336

IUPAC(1R)-1-(3,4-difluorophenyl)-2-(4-methylsulfonylpyrazol-1-yl)ethanol
SMILESCS(=O)(=O)c1cnn(C[C@H](O)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C12H12F2N2O3S/c1-20(18,19)9-5-15-16(6-9)7-12(17)8-2-3-10(13)11(14)4-8/h2-6,12,17H,7H2,1H3/t12-/m0/s1
InChIKeyWILZQCRUWGOAFA-LBPRGKRZSA-N
MW302.30 g/mol
LogP1.30
Rot. Bonds4

About (1R)-1-(3,4-difluorophenyl)-2-(4-methylsulfonylpyrazol-1-yl)ethanol

(1R)-1-(3,4-difluorophenyl)-2-(4-methylsulfonylpyrazol-1-yl)ethanol (PubChem CID 164638336) has the molecular formula C12H12F2N2O3S and a molecular weight of 302.30 g/mol. Its IUPAC name is (1R)-1-(3,4-difluorophenyl)-2-(4-methylsulfonylpyrazol-1-yl)ethanol.

Molecular Properties

Compound Name(1R)-1-(3,4-difluorophenyl)-2-(4-methylsulfonylpyrazol-1-yl)ethanol
PubChem CID164638336
Molecular FormulaC12H12F2N2O3S
Molecular Weight302.30 g/mol
Exact Mass302.05
IUPAC Name(1R)-1-(3,4-difluorophenyl)-2-(4-methylsulfonylpyrazol-1-yl)ethanol
SMILESCS(=O)(=O)c1cnn(C[C@H](O)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C12H12F2N2O3S/c1-20(18,19)9-5-15-16(6-9)7-12(17)8-2-3-10(13)11(14)4-8/h2-6,12,17H,7H2,1H3/t12-/m0/s1
InChIKeyWILZQCRUWGOAFA-LBPRGKRZSA-N
XLogP1.30
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3,4-difluorophenyl)-2-(4-methylsulfonylpyrazol-1-yl)ethanol?
The IUPAC name of (1R)-1-(3,4-difluorophenyl)-2-(4-methylsulfonylpyrazol-1-yl)ethanol (CID 164638336) is (1R)-1-(3,4-difluorophenyl)-2-(4-methylsulfonylpyrazol-1-yl)ethanol.
What is the SMILES notation for (1R)-1-(3,4-difluorophenyl)-2-(4-methylsulfonylpyrazol-1-yl)ethanol?
The canonical SMILES for (1R)-1-(3,4-difluorophenyl)-2-(4-methylsulfonylpyrazol-1-yl)ethanol is CS(=O)(=O)c1cnn(C[C@H](O)c2ccc(F)c(F)c2)c1.
What is the InChIKey of (1R)-1-(3,4-difluorophenyl)-2-(4-methylsulfonylpyrazol-1-yl)ethanol?
The InChIKey is WILZQCRUWGOAFA-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H12F2N2O3S/c1-20(18,19)9-5-15-16(6-9)7-12(17)8-2-3-10(13)11(14)4-8/h2-6,12,17H,7H2,1H3/t12-/m0/s1.
What are the key properties of (1R)-1-(3,4-difluorophenyl)-2-(4-methylsulfonylpyrazol-1-yl)ethanol?
(1R)-1-(3,4-difluorophenyl)-2-(4-methylsulfonylpyrazol-1-yl)ethanol has a molecular weight of 302.30 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3,4-difluorophenyl)-2-(4-methylsulfonylpyrazol-1-yl)ethanol is sourced from PubChem (CID 164638336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).