4-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-pyrazole

C18H15F3N2O3S — CID 19355222

IUPAC4-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-pyrazole
SMILESCOc1ccc(-c2c(-c3ccc(S(C)(=O)=O)cc3)n[nH]c2C(F)(F)F)cc1
InChIInChI=1S/C18H15F3N2O3S/c1-26-13-7-3-11(4-8-13)15-16(22-23-17(15)18(19,20)21)12-5-9-14(10-6-12)27(2,24)25/h3-10H,1-2H3,(H,22,23)
InChIKeyBKMGNZMTUVYIKH-UHFFFAOYSA-N
MW396.39 g/mol
LogP4.17
Rot. Bonds4

About 4-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-pyrazole

4-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-pyrazole (PubChem CID 19355222) has the molecular formula C18H15F3N2O3S and a molecular weight of 396.39 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-pyrazole
PubChem CID19355222
Molecular FormulaC18H15F3N2O3S
Molecular Weight396.39 g/mol
Exact Mass396.08
IUPAC Name4-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-pyrazole
SMILESCOc1ccc(-c2c(-c3ccc(S(C)(=O)=O)cc3)n[nH]c2C(F)(F)F)cc1
InChIInChI=1S/C18H15F3N2O3S/c1-26-13-7-3-11(4-8-13)15-16(22-23-17(15)18(19,20)21)12-5-9-14(10-6-12)27(2,24)25/h3-10H,1-2H3,(H,22,23)
InChIKeyBKMGNZMTUVYIKH-UHFFFAOYSA-N
XLogP4.17
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.39
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-pyrazole 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 4-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 4-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-pyrazole (CID 19355222) is 4-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 4-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 4-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-pyrazole is COc1ccc(-c2c(-c3ccc(S(C)(=O)=O)cc3)n[nH]c2C(F)(F)F)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-pyrazole?
The InChIKey is BKMGNZMTUVYIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O3S/c1-26-13-7-3-11(4-8-13)15-16(22-23-17(15)18(19,20)21)12-5-9-14(10-6-12)27(2,24)25/h3-10H,1-2H3,(H,22,23).
What are the key properties of 4-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-pyrazole?
4-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-pyrazole has a molecular weight of 396.39 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 19355222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).