[1-methyl-5-[[3-(trifluoromethyl)phenyl]methoxy]pyrazol-4-yl]-(2,3,5-trimethyl-4-methylsulfonylphenyl)methanone

C23H23F3N2O4S — CID 54357284

IUPAC[1-methyl-5-[[3-(trifluoromethyl)phenyl]methoxy]pyrazol-4-yl]-(2,3,5-trimethyl-4-methylsulfonylphenyl)methanone
SMILESCc1cc(C(=O)c2cnn(C)c2OCc2cccc(C(F)(F)F)c2)c(C)c(C)c1S(C)(=O)=O
InChIInChI=1S/C23H23F3N2O4S/c1-13-9-18(14(2)15(3)21(13)33(5,30)31)20(29)19-11-27-28(4)22(19)32-12-16-7-6-8-17(10-16)23(24,25)26/h6-11H,12H2,1-5H3
InChIKeyUJZNDUOBBLAWGO-UHFFFAOYSA-N
MW480.51 g/mol
LogP4.58
Rot. Bonds6

About [1-methyl-5-[[3-(trifluoromethyl)phenyl]methoxy]pyrazol-4-yl]-(2,3,5-trimethyl-4-methylsulfonylphenyl)methanone

[1-methyl-5-[[3-(trifluoromethyl)phenyl]methoxy]pyrazol-4-yl]-(2,3,5-trimethyl-4-methylsulfonylphenyl)methanone (PubChem CID 54357284) has the molecular formula C23H23F3N2O4S and a molecular weight of 480.51 g/mol. Its IUPAC name is [1-methyl-5-[[3-(trifluoromethyl)phenyl]methoxy]pyrazol-4-yl]-(2,3,5-trimethyl-4-methylsulfonylphenyl)methanone.

Molecular Properties

Compound Name[1-methyl-5-[[3-(trifluoromethyl)phenyl]methoxy]pyrazol-4-yl]-(2,3,5-trimethyl-4-methylsulfonylphenyl)methanone
PubChem CID54357284
Molecular FormulaC23H23F3N2O4S
Molecular Weight480.51 g/mol
Exact Mass480.13
IUPAC Name[1-methyl-5-[[3-(trifluoromethyl)phenyl]methoxy]pyrazol-4-yl]-(2,3,5-trimethyl-4-methylsulfonylphenyl)methanone
SMILESCc1cc(C(=O)c2cnn(C)c2OCc2cccc(C(F)(F)F)c2)c(C)c(C)c1S(C)(=O)=O
InChIInChI=1S/C23H23F3N2O4S/c1-13-9-18(14(2)15(3)21(13)33(5,30)31)20(29)19-11-27-28(4)22(19)32-12-16-7-6-8-17(10-16)23(24,25)26/h6-11H,12H2,1-5H3
InChIKeyUJZNDUOBBLAWGO-UHFFFAOYSA-N
XLogP4.58
TPSA78.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.51
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [1-methyl-5-[[3-(trifluoromethyl)phenyl]methoxy]pyrazol-4-yl]-(2,3,5-trimethyl-4-methylsulfonylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-methyl-5-[[3-(trifluoromethyl)phenyl]methoxy]pyrazol-4-yl]-(2,3,5-trimethyl-4-methylsulfonylphenyl)methanone?
The IUPAC name of [1-methyl-5-[[3-(trifluoromethyl)phenyl]methoxy]pyrazol-4-yl]-(2,3,5-trimethyl-4-methylsulfonylphenyl)methanone (CID 54357284) is [1-methyl-5-[[3-(trifluoromethyl)phenyl]methoxy]pyrazol-4-yl]-(2,3,5-trimethyl-4-methylsulfonylphenyl)methanone.
What is the SMILES notation for [1-methyl-5-[[3-(trifluoromethyl)phenyl]methoxy]pyrazol-4-yl]-(2,3,5-trimethyl-4-methylsulfonylphenyl)methanone?
The canonical SMILES for [1-methyl-5-[[3-(trifluoromethyl)phenyl]methoxy]pyrazol-4-yl]-(2,3,5-trimethyl-4-methylsulfonylphenyl)methanone is Cc1cc(C(=O)c2cnn(C)c2OCc2cccc(C(F)(F)F)c2)c(C)c(C)c1S(C)(=O)=O.
What is the InChIKey of [1-methyl-5-[[3-(trifluoromethyl)phenyl]methoxy]pyrazol-4-yl]-(2,3,5-trimethyl-4-methylsulfonylphenyl)methanone?
The InChIKey is UJZNDUOBBLAWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N2O4S/c1-13-9-18(14(2)15(3)21(13)33(5,30)31)20(29)19-11-27-28(4)22(19)32-12-16-7-6-8-17(10-16)23(24,25)26/h6-11H,12H2,1-5H3.
What are the key properties of [1-methyl-5-[[3-(trifluoromethyl)phenyl]methoxy]pyrazol-4-yl]-(2,3,5-trimethyl-4-methylsulfonylphenyl)methanone?
[1-methyl-5-[[3-(trifluoromethyl)phenyl]methoxy]pyrazol-4-yl]-(2,3,5-trimethyl-4-methylsulfonylphenyl)methanone has a molecular weight of 480.51 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-5-[[3-(trifluoromethyl)phenyl]methoxy]pyrazol-4-yl]-(2,3,5-trimethyl-4-methylsulfonylphenyl)methanone is sourced from PubChem (CID 54357284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).