2,4-dichloro-5-[4-ethyl-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenol

C13H11Cl2F3N2O2 — CID 68708457

IUPAC2,4-dichloro-5-[4-ethyl-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenol
SMILESCCc1c(C(F)(F)F)nn(C)c1Oc1cc(O)c(Cl)cc1Cl
InChIInChI=1S/C13H11Cl2F3N2O2/c1-3-6-11(13(16,17)18)19-20(2)12(6)22-10-5-9(21)7(14)4-8(10)15/h4-5,21H,3H2,1-2H3
InChIKeySATXRESBFBHKMW-UHFFFAOYSA-N
MW355.14 g/mol
LogP4.81
Rot. Bonds3

About 2,4-dichloro-5-[4-ethyl-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenol

2,4-dichloro-5-[4-ethyl-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenol (PubChem CID 68708457) has the molecular formula C13H11Cl2F3N2O2 and a molecular weight of 355.14 g/mol. Its IUPAC name is 2,4-dichloro-5-[4-ethyl-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenol.

Molecular Properties

Compound Name2,4-dichloro-5-[4-ethyl-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenol
PubChem CID68708457
Molecular FormulaC13H11Cl2F3N2O2
Molecular Weight355.14 g/mol
Exact Mass354.01
IUPAC Name2,4-dichloro-5-[4-ethyl-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenol
SMILESCCc1c(C(F)(F)F)nn(C)c1Oc1cc(O)c(Cl)cc1Cl
InChIInChI=1S/C13H11Cl2F3N2O2/c1-3-6-11(13(16,17)18)19-20(2)12(6)22-10-5-9(21)7(14)4-8(10)15/h4-5,21H,3H2,1-2H3
InChIKeySATXRESBFBHKMW-UHFFFAOYSA-N
XLogP4.81
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.14
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,4-dichloro-5-[4-ethyl-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenol 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 2,4-dichloro-5-[4-ethyl-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenol?
The IUPAC name of 2,4-dichloro-5-[4-ethyl-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenol (CID 68708457) is 2,4-dichloro-5-[4-ethyl-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenol.
What is the SMILES notation for 2,4-dichloro-5-[4-ethyl-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenol?
The canonical SMILES for 2,4-dichloro-5-[4-ethyl-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenol is CCc1c(C(F)(F)F)nn(C)c1Oc1cc(O)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-[4-ethyl-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenol?
The InChIKey is SATXRESBFBHKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2F3N2O2/c1-3-6-11(13(16,17)18)19-20(2)12(6)22-10-5-9(21)7(14)4-8(10)15/h4-5,21H,3H2,1-2H3.
What are the key properties of 2,4-dichloro-5-[4-ethyl-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenol?
2,4-dichloro-5-[4-ethyl-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenol has a molecular weight of 355.14 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-[4-ethyl-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenol is sourced from PubChem (CID 68708457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).