[1-(2-ethylsulfonylethyl)-5-(trifluoromethyl)pyrazol-4-yl]methanol

C9H13F3N2O3S — CID 66437258

IUPAC[1-(2-ethylsulfonylethyl)-5-(trifluoromethyl)pyrazol-4-yl]methanol
SMILESCCS(=O)(=O)CCn1ncc(CO)c1C(F)(F)F
InChIInChI=1S/C9H13F3N2O3S/c1-2-18(16,17)4-3-14-8(9(10,11)12)7(6-15)5-13-14/h5,15H,2-4,6H2,1H3
InChIKeyOVVZPWXVUBPDSN-UHFFFAOYSA-N
MW286.28 g/mol
LogP0.83
Rot. Bonds5

About [1-(2-ethylsulfonylethyl)-5-(trifluoromethyl)pyrazol-4-yl]methanol

[1-(2-ethylsulfonylethyl)-5-(trifluoromethyl)pyrazol-4-yl]methanol (PubChem CID 66437258) has the molecular formula C9H13F3N2O3S and a molecular weight of 286.28 g/mol. Its IUPAC name is [1-(2-ethylsulfonylethyl)-5-(trifluoromethyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(2-ethylsulfonylethyl)-5-(trifluoromethyl)pyrazol-4-yl]methanol
PubChem CID66437258
Molecular FormulaC9H13F3N2O3S
Molecular Weight286.28 g/mol
Exact Mass286.06
IUPAC Name[1-(2-ethylsulfonylethyl)-5-(trifluoromethyl)pyrazol-4-yl]methanol
SMILESCCS(=O)(=O)CCn1ncc(CO)c1C(F)(F)F
InChIInChI=1S/C9H13F3N2O3S/c1-2-18(16,17)4-3-14-8(9(10,11)12)7(6-15)5-13-14/h5,15H,2-4,6H2,1H3
InChIKeyOVVZPWXVUBPDSN-UHFFFAOYSA-N
XLogP0.83
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(2-ethylsulfonylethyl)-5-(trifluoromethyl)pyrazol-4-yl]methanol?
The IUPAC name of [1-(2-ethylsulfonylethyl)-5-(trifluoromethyl)pyrazol-4-yl]methanol (CID 66437258) is [1-(2-ethylsulfonylethyl)-5-(trifluoromethyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [1-(2-ethylsulfonylethyl)-5-(trifluoromethyl)pyrazol-4-yl]methanol?
The canonical SMILES for [1-(2-ethylsulfonylethyl)-5-(trifluoromethyl)pyrazol-4-yl]methanol is CCS(=O)(=O)CCn1ncc(CO)c1C(F)(F)F.
What is the InChIKey of [1-(2-ethylsulfonylethyl)-5-(trifluoromethyl)pyrazol-4-yl]methanol?
The InChIKey is OVVZPWXVUBPDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O3S/c1-2-18(16,17)4-3-14-8(9(10,11)12)7(6-15)5-13-14/h5,15H,2-4,6H2,1H3.
What are the key properties of [1-(2-ethylsulfonylethyl)-5-(trifluoromethyl)pyrazol-4-yl]methanol?
[1-(2-ethylsulfonylethyl)-5-(trifluoromethyl)pyrazol-4-yl]methanol has a molecular weight of 286.28 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethylsulfonylethyl)-5-(trifluoromethyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 66437258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).