2-[1-[2-fluoro-6-(trifluoromethyl)phenyl]-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol

C24H20F4N2O3S2 — CID 59240216

IUPAC2-[1-[2-fluoro-6-(trifluoromethyl)phenyl]-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol
SMILESCC(C)(O)c1cc(-c2ccc(-c3cccc(S(C)(=O)=O)c3)s2)n(-c2c(F)cccc2C(F)(F)F)n1
InChIInChI=1S/C24H20F4N2O3S2/c1-23(2,31)21-13-18(30(29-21)22-16(24(26,27)28)8-5-9-17(22)25)20-11-10-19(34-20)14-6-4-7-15(12-14)35(3,32)33/h4-13,31H,1-3H3
InChIKeyAVOMDRHNXXPXHG-UHFFFAOYSA-N
MW524.56 g/mol
LogP6.06
Rot. Bonds5

About 2-[1-[2-fluoro-6-(trifluoromethyl)phenyl]-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol

2-[1-[2-fluoro-6-(trifluoromethyl)phenyl]-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol (PubChem CID 59240216) has the molecular formula C24H20F4N2O3S2 and a molecular weight of 524.56 g/mol. Its IUPAC name is 2-[1-[2-fluoro-6-(trifluoromethyl)phenyl]-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[2-fluoro-6-(trifluoromethyl)phenyl]-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol
PubChem CID59240216
Molecular FormulaC24H20F4N2O3S2
Molecular Weight524.56 g/mol
Exact Mass524.09
IUPAC Name2-[1-[2-fluoro-6-(trifluoromethyl)phenyl]-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol
SMILESCC(C)(O)c1cc(-c2ccc(-c3cccc(S(C)(=O)=O)c3)s2)n(-c2c(F)cccc2C(F)(F)F)n1
InChIInChI=1S/C24H20F4N2O3S2/c1-23(2,31)21-13-18(30(29-21)22-16(24(26,27)28)8-5-9-17(22)25)20-11-10-19(34-20)14-6-4-7-15(12-14)35(3,32)33/h4-13,31H,1-3H3
InChIKeyAVOMDRHNXXPXHG-UHFFFAOYSA-N
XLogP6.06
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.56
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(2-Chlorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol
CID 59631866
5-[5-(3-Methylsulfonylphenyl)thiophen-2-yl]-3-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]pyrazole
CID 59632565
[1-(4-Fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol
CID 22014676
2-[1-(2,6-Difluorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol
CID 57458734
2-[1-(2-Chloro-6-fluorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol
CID 57458736
2-[4-Chloro-1-(2-chloro-6-fluorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol
CID 57458739
2-[5-[5-(3-Methylsulfonylphenyl)thiophen-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid
CID 59631629
2-[1-(2-Chlorophenyl)-5-[5-(2,3,4-trifluorophenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol
CID 59631644
3-(5-(5-(3-(methylsulfonyl)phenyl)thiophen-2-yl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)phenol
CID 59631652
2-[1-(2-Chlorophenyl)-5-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]pyrazol-3-yl]propan-2-ol
CID 59631675
2-[1-(2-Chloro-5-fluorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol
CID 59631701
2-[1-(2-chlorophenyl)-5-{5-[3-(methylsulfonyl)phenyl]-2-thienyl}-1H-pyrazol-3-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 59631704

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-fluoro-6-(trifluoromethyl)phenyl]-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol?
The IUPAC name of 2-[1-[2-fluoro-6-(trifluoromethyl)phenyl]-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol (CID 59240216) is 2-[1-[2-fluoro-6-(trifluoromethyl)phenyl]-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[2-fluoro-6-(trifluoromethyl)phenyl]-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol?
The canonical SMILES for 2-[1-[2-fluoro-6-(trifluoromethyl)phenyl]-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol is CC(C)(O)c1cc(-c2ccc(-c3cccc(S(C)(=O)=O)c3)s2)n(-c2c(F)cccc2C(F)(F)F)n1.
What is the InChIKey of 2-[1-[2-fluoro-6-(trifluoromethyl)phenyl]-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol?
The InChIKey is AVOMDRHNXXPXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F4N2O3S2/c1-23(2,31)21-13-18(30(29-21)22-16(24(26,27)28)8-5-9-17(22)25)20-11-10-19(34-20)14-6-4-7-15(12-14)35(3,32)33/h4-13,31H,1-3H3.
What are the key properties of 2-[1-[2-fluoro-6-(trifluoromethyl)phenyl]-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol?
2-[1-[2-fluoro-6-(trifluoromethyl)phenyl]-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol has a molecular weight of 524.56 g/mol, XLogP of 6.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-fluoro-6-(trifluoromethyl)phenyl]-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol is sourced from PubChem (CID 59240216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).