4-chloro-3-(4-chloro-3-methoxyphenoxy)-1-methyl-5-(trifluoromethyl)pyrazole

C12H9Cl2F3N2O2 — CID 19779923

IUPAC4-chloro-3-(4-chloro-3-methoxyphenoxy)-1-methyl-5-(trifluoromethyl)pyrazole
SMILESCOc1cc(Oc2nn(C)c(C(F)(F)F)c2Cl)ccc1Cl
InChIInChI=1S/C12H9Cl2F3N2O2/c1-19-10(12(15,16)17)9(14)11(18-19)21-6-3-4-7(13)8(5-6)20-2/h3-5H,1-2H3
InChIKeyUQONRDUQTGBZDH-UHFFFAOYSA-N
MW341.12 g/mol
LogP4.55
Rot. Bonds3

About 4-chloro-3-(4-chloro-3-methoxyphenoxy)-1-methyl-5-(trifluoromethyl)pyrazole

4-chloro-3-(4-chloro-3-methoxyphenoxy)-1-methyl-5-(trifluoromethyl)pyrazole (PubChem CID 19779923) has the molecular formula C12H9Cl2F3N2O2 and a molecular weight of 341.12 g/mol. Its IUPAC name is 4-chloro-3-(4-chloro-3-methoxyphenoxy)-1-methyl-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-chloro-3-(4-chloro-3-methoxyphenoxy)-1-methyl-5-(trifluoromethyl)pyrazole
PubChem CID19779923
Molecular FormulaC12H9Cl2F3N2O2
Molecular Weight341.12 g/mol
Exact Mass340.00
IUPAC Name4-chloro-3-(4-chloro-3-methoxyphenoxy)-1-methyl-5-(trifluoromethyl)pyrazole
SMILESCOc1cc(Oc2nn(C)c(C(F)(F)F)c2Cl)ccc1Cl
InChIInChI=1S/C12H9Cl2F3N2O2/c1-19-10(12(15,16)17)9(14)11(18-19)21-6-3-4-7(13)8(5-6)20-2/h3-5H,1-2H3
InChIKeyUQONRDUQTGBZDH-UHFFFAOYSA-N
XLogP4.55
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.12
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(4-chloro-3-methoxyphenoxy)-1-methyl-5-(trifluoromethyl)pyrazole?
The IUPAC name of 4-chloro-3-(4-chloro-3-methoxyphenoxy)-1-methyl-5-(trifluoromethyl)pyrazole (CID 19779923) is 4-chloro-3-(4-chloro-3-methoxyphenoxy)-1-methyl-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4-chloro-3-(4-chloro-3-methoxyphenoxy)-1-methyl-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 4-chloro-3-(4-chloro-3-methoxyphenoxy)-1-methyl-5-(trifluoromethyl)pyrazole is COc1cc(Oc2nn(C)c(C(F)(F)F)c2Cl)ccc1Cl.
What is the InChIKey of 4-chloro-3-(4-chloro-3-methoxyphenoxy)-1-methyl-5-(trifluoromethyl)pyrazole?
The InChIKey is UQONRDUQTGBZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2F3N2O2/c1-19-10(12(15,16)17)9(14)11(18-19)21-6-3-4-7(13)8(5-6)20-2/h3-5H,1-2H3.
What are the key properties of 4-chloro-3-(4-chloro-3-methoxyphenoxy)-1-methyl-5-(trifluoromethyl)pyrazole?
4-chloro-3-(4-chloro-3-methoxyphenoxy)-1-methyl-5-(trifluoromethyl)pyrazole has a molecular weight of 341.12 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(4-chloro-3-methoxyphenoxy)-1-methyl-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 19779923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).