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

C22H20ClF3N2O4S — CID 54462502

IUPAC(2-chloro-3,5-dimethyl-4-methylsulfonylphenyl)-[1-methyl-5-[[3-(trifluoromethyl)phenyl]methoxy]pyrazol-4-yl]methanone
SMILESCc1cc(C(=O)c2cnn(C)c2OCc2cccc(C(F)(F)F)c2)c(Cl)c(C)c1S(C)(=O)=O
InChIInChI=1S/C22H20ClF3N2O4S/c1-12-8-16(18(23)13(2)20(12)33(4,30)31)19(29)17-10-27-28(3)21(17)32-11-14-6-5-7-15(9-14)22(24,25)26/h5-10H,11H2,1-4H3
InChIKeyXCORFZNGTWHYRT-UHFFFAOYSA-N
MW500.93 g/mol
LogP4.92
Rot. Bonds6

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

(2-chloro-3,5-dimethyl-4-methylsulfonylphenyl)-[1-methyl-5-[[3-(trifluoromethyl)phenyl]methoxy]pyrazol-4-yl]methanone (PubChem CID 54462502) has the molecular formula C22H20ClF3N2O4S and a molecular weight of 500.93 g/mol. Its IUPAC name is (2-chloro-3,5-dimethyl-4-methylsulfonylphenyl)-[1-methyl-5-[[3-(trifluoromethyl)phenyl]methoxy]pyrazol-4-yl]methanone.

Molecular Properties

Compound Name(2-chloro-3,5-dimethyl-4-methylsulfonylphenyl)-[1-methyl-5-[[3-(trifluoromethyl)phenyl]methoxy]pyrazol-4-yl]methanone
PubChem CID54462502
Molecular FormulaC22H20ClF3N2O4S
Molecular Weight500.93 g/mol
Exact Mass500.08
IUPAC Name(2-chloro-3,5-dimethyl-4-methylsulfonylphenyl)-[1-methyl-5-[[3-(trifluoromethyl)phenyl]methoxy]pyrazol-4-yl]methanone
SMILESCc1cc(C(=O)c2cnn(C)c2OCc2cccc(C(F)(F)F)c2)c(Cl)c(C)c1S(C)(=O)=O
InChIInChI=1S/C22H20ClF3N2O4S/c1-12-8-16(18(23)13(2)20(12)33(4,30)31)19(29)17-10-27-28(3)21(17)32-11-14-6-5-7-15(9-14)22(24,25)26/h5-10H,11H2,1-4H3
InChIKeyXCORFZNGTWHYRT-UHFFFAOYSA-N
XLogP4.92
TPSA78.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.93
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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

Launch Full Analysis

Related Compounds

Fenpyrazone
CID 139509774
(2,4-Dichlorophenyl)-[5-[(2-fluorophenyl)methoxy]-1-methylpyrazol-4-yl]methanone
CID 13631229
[1-Ethyl-5-[[3-(trifluoromethyl)phenyl]methoxy]pyrazol-4-yl]-(2,3,5-trimethyl-4-methylsulfonylphenyl)methanone
CID 53674733
[2-Chloro-3,5-dimethyl-4-(trifluoromethyl)phenyl]-(1-methyl-5-phenylmethoxypyrazol-4-yl)methanone
CID 53836823
[3,5-Dimethyl-4-methylsulfonyl-2-(trifluoromethyl)phenyl]-(1-ethyl-5-phenylmethoxypyrazol-4-yl)methanone
CID 53896860
(2,4-Dichloro-3,5-dimethylphenyl)-[1-methyl-5-[[3-(trifluoromethyl)phenyl]methoxy]pyrazol-4-yl]methanone
CID 53898069
[2-Chloro-3,5-dimethyl-4-(trifluoromethyl)phenyl]-(1-ethyl-5-phenylmethoxypyrazol-4-yl)methanone
CID 53921084
(2-Chloro-3,5-dimethyl-4-methylsulfonylphenyl)-[1,3-dimethyl-5-[[3-(trifluoromethyl)phenyl]methoxy]pyrazol-4-yl]methanone
CID 53921743
[4-[3,5-Dimethyl-4-methylsulfonyl-2-(trifluoromethyl)benzoyl]-1-methylpyrazol-5-yl] benzoate
CID 53933099
(2-Chloro-3,5-dimethyl-4-methylsulfonylphenyl)-[1-ethyl-5-[[3-(trifluoromethyl)phenyl]methoxy]pyrazol-4-yl]methanone
CID 54064561
[4-(2-Chloro-3,5-dimethyl-4-methylsulfonylbenzoyl)-1-methylpyrazol-5-yl] 4-(trifluoromethyl)benzoate
CID 54116009
[1-Methyl-4-(2,3,5-trimethyl-4-methylsulfonylbenzoyl)pyrazol-5-yl] 4-(trifluoromethyl)benzoate
CID 54127597

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3,5-dimethyl-4-methylsulfonylphenyl)-[1-methyl-5-[[3-(trifluoromethyl)phenyl]methoxy]pyrazol-4-yl]methanone?
The IUPAC name of (2-chloro-3,5-dimethyl-4-methylsulfonylphenyl)-[1-methyl-5-[[3-(trifluoromethyl)phenyl]methoxy]pyrazol-4-yl]methanone (CID 54462502) is (2-chloro-3,5-dimethyl-4-methylsulfonylphenyl)-[1-methyl-5-[[3-(trifluoromethyl)phenyl]methoxy]pyrazol-4-yl]methanone.
What is the SMILES notation for (2-chloro-3,5-dimethyl-4-methylsulfonylphenyl)-[1-methyl-5-[[3-(trifluoromethyl)phenyl]methoxy]pyrazol-4-yl]methanone?
The canonical SMILES for (2-chloro-3,5-dimethyl-4-methylsulfonylphenyl)-[1-methyl-5-[[3-(trifluoromethyl)phenyl]methoxy]pyrazol-4-yl]methanone is Cc1cc(C(=O)c2cnn(C)c2OCc2cccc(C(F)(F)F)c2)c(Cl)c(C)c1S(C)(=O)=O.
What is the InChIKey of (2-chloro-3,5-dimethyl-4-methylsulfonylphenyl)-[1-methyl-5-[[3-(trifluoromethyl)phenyl]methoxy]pyrazol-4-yl]methanone?
The InChIKey is XCORFZNGTWHYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClF3N2O4S/c1-12-8-16(18(23)13(2)20(12)33(4,30)31)19(29)17-10-27-28(3)21(17)32-11-14-6-5-7-15(9-14)22(24,25)26/h5-10H,11H2,1-4H3.
What are the key properties of (2-chloro-3,5-dimethyl-4-methylsulfonylphenyl)-[1-methyl-5-[[3-(trifluoromethyl)phenyl]methoxy]pyrazol-4-yl]methanone?
(2-chloro-3,5-dimethyl-4-methylsulfonylphenyl)-[1-methyl-5-[[3-(trifluoromethyl)phenyl]methoxy]pyrazol-4-yl]methanone has a molecular weight of 500.93 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3,5-dimethyl-4-methylsulfonylphenyl)-[1-methyl-5-[[3-(trifluoromethyl)phenyl]methoxy]pyrazol-4-yl]methanone is sourced from PubChem (CID 54462502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).