2-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]ethanol

C17H15F3N2O3S2 — CID 59631630

IUPAC2-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]ethanol
SMILESCS(=O)(=O)c1cccc(-c2ccc(-c3cc(C(F)(F)F)nn3CCO)s2)c1
InChIInChI=1S/C17H15F3N2O3S2/c1-27(24,25)12-4-2-3-11(9-12)14-5-6-15(26-14)13-10-16(17(18,19)20)21-22(13)7-8-23/h2-6,9-10,23H,7-8H2,1H3
InChIKeyHTZHNHJPPIEPSH-UHFFFAOYSA-N
MW416.45 g/mol
LogP3.69
Rot. Bonds5

About 2-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]ethanol

2-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]ethanol (PubChem CID 59631630) has the molecular formula C17H15F3N2O3S2 and a molecular weight of 416.45 g/mol. Its IUPAC name is 2-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]ethanol
PubChem CID59631630
Molecular FormulaC17H15F3N2O3S2
Molecular Weight416.45 g/mol
Exact Mass416.05
IUPAC Name2-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]ethanol
SMILESCS(=O)(=O)c1cccc(-c2ccc(-c3cc(C(F)(F)F)nn3CCO)s2)c1
InChIInChI=1S/C17H15F3N2O3S2/c1-27(24,25)12-4-2-3-11(9-12)14-5-6-15(26-14)13-10-16(17(18,19)20)21-22(13)7-8-23/h2-6,9-10,23H,7-8H2,1H3
InChIKeyHTZHNHJPPIEPSH-UHFFFAOYSA-N
XLogP3.69
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[5-(3-Methylsulfonylphenyl)thiophen-2-yl]-3-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]pyrazole
CID 59632565
1-[(2,4-Difluorophenyl)methyl]-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-3-(trifluoromethyl)pyrazole
CID 68655604
2-[{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}(2-thienylmethyl)amino]ethanol
CID 16190655
1-[5-[1-Methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonyl-4-(2-phenylethyl)piperazine
CID 2810460
1-(2,5-difluorophenyl)-N-((1-methyl-5-(thiophen-2-yl)-1H-pyrazol-3-yl)methyl)methanesulfonamide
CID 71797439
3-(5-Trifluoromethyl-1-methylpyrazol-3-yl)-2-thiophenesulfonyl chloride
CID 18931437
4-[1-Ethyl-4-thiophen-2-yl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide
CID 19355316
3-[4-(4-Methylsulfanylphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]propan-1-ol
CID 19355659
1-Ethyl-3-(4-methylsulfonylphenyl)-4-thiophen-2-yl-5-(trifluoromethyl)pyrazole
CID 19355745
4-(5-Chlorothiophen-2-yl)-1-ethyl-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazole
CID 19355897
3-[3-(4-Methylsulfonylphenyl)-4-phenyl-5-(trifluoromethyl)pyrazol-1-yl]propan-1-ol
CID 19356014
2-[5-[5-(3-Methylsulfonylphenyl)thiophen-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]acetic acid
CID 59631642

Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]ethanol (CID 59631630) is 2-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]ethanol is CS(=O)(=O)c1cccc(-c2ccc(-c3cc(C(F)(F)F)nn3CCO)s2)c1.
What is the InChIKey of 2-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]ethanol?
The InChIKey is HTZHNHJPPIEPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O3S2/c1-27(24,25)12-4-2-3-11(9-12)14-5-6-15(26-14)13-10-16(17(18,19)20)21-22(13)7-8-23/h2-6,9-10,23H,7-8H2,1H3.
What are the key properties of 2-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]ethanol?
2-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]ethanol has a molecular weight of 416.45 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 59631630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).