2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]sulfonylethanol

C19H17F3N2O4S — CID 54319002

IUPAC2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]sulfonylethanol
SMILESCOc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(S(=O)(=O)CCO)cc2)cc1
InChIInChI=1S/C19H17F3N2O4S/c1-28-15-6-4-14(5-7-15)24-17(12-18(23-24)19(20,21)22)13-2-8-16(9-3-13)29(26,27)11-10-25/h2-9,12,25H,10-11H2,1H3
InChIKeySQGWJKZGVUAOCD-UHFFFAOYSA-N
MW426.42 g/mol
LogP3.33
Rot. Bonds6

About 2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]sulfonylethanol

2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]sulfonylethanol (PubChem CID 54319002) has the molecular formula C19H17F3N2O4S and a molecular weight of 426.42 g/mol. Its IUPAC name is 2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]sulfonylethanol.

Molecular Properties

Compound Name2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]sulfonylethanol
PubChem CID54319002
Molecular FormulaC19H17F3N2O4S
Molecular Weight426.42 g/mol
Exact Mass426.09
IUPAC Name2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]sulfonylethanol
SMILESCOc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(S(=O)(=O)CCO)cc2)cc1
InChIInChI=1S/C19H17F3N2O4S/c1-28-15-6-4-14(5-7-15)24-17(12-18(23-24)19(20,21)22)13-2-8-16(9-3-13)29(26,27)11-10-25/h2-9,12,25H,10-11H2,1H3
InChIKeySQGWJKZGVUAOCD-UHFFFAOYSA-N
XLogP3.33
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.42
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenol
CID 21090959
methanesulfonamide;5-(4-methoxyphenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazole
CID 142958737
5-(4-methoxyphenyl)-1-[4-(sulfamoylamino)phenyl]-3-(trifluoromethyl)pyrazole
CID 57334325
N-[2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]ethyl]methanesulfonamide
CID 58806843
2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]-N-methylacetamide
CID 58806574
N-[2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethyl]acetamide
CID 58806583
[4-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine;hydrochloride
CID 21090957
4-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenecarbothioamide
CID 71727532
[4-[5-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl] acetate
CID 22909681
2-amino-3-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]propanoic acid
CID 58806632
2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]-N-methylethanamine;hydrochloride
CID 158524383
2-[4-[1-(4-methoxyphenyl)-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-yl]phenyl]ethanol
CID 58806663

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]sulfonylethanol?
The IUPAC name of 2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]sulfonylethanol (CID 54319002) is 2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]sulfonylethanol.
What is the SMILES notation for 2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]sulfonylethanol?
The canonical SMILES for 2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]sulfonylethanol is COc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(S(=O)(=O)CCO)cc2)cc1.
What is the InChIKey of 2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]sulfonylethanol?
The InChIKey is SQGWJKZGVUAOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O4S/c1-28-15-6-4-14(5-7-15)24-17(12-18(23-24)19(20,21)22)13-2-8-16(9-3-13)29(26,27)11-10-25/h2-9,12,25H,10-11H2,1H3.
What are the key properties of 2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]sulfonylethanol?
2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]sulfonylethanol has a molecular weight of 426.42 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]sulfonylethanol is sourced from PubChem (CID 54319002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).