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

C13H11Cl2F3N2O2 — CID 19779914

IUPAC4-chloro-3-(4-chloro-3-ethoxyphenoxy)-1-methyl-5-(trifluoromethyl)pyrazole
SMILESCCOc1cc(Oc2nn(C)c(C(F)(F)F)c2Cl)ccc1Cl
InChIInChI=1S/C13H11Cl2F3N2O2/c1-3-21-9-6-7(4-5-8(9)14)22-12-10(15)11(13(16,17)18)20(2)19-12/h4-6H,3H2,1-2H3
InChIKeyHXZUKSWIFUKILV-UHFFFAOYSA-N
MW355.14 g/mol
LogP4.94
Rot. Bonds4

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

4-chloro-3-(4-chloro-3-ethoxyphenoxy)-1-methyl-5-(trifluoromethyl)pyrazole (PubChem CID 19779914) has the molecular formula C13H11Cl2F3N2O2 and a molecular weight of 355.14 g/mol. Its IUPAC name is 4-chloro-3-(4-chloro-3-ethoxyphenoxy)-1-methyl-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-chloro-3-(4-chloro-3-ethoxyphenoxy)-1-methyl-5-(trifluoromethyl)pyrazole
PubChem CID19779914
Molecular FormulaC13H11Cl2F3N2O2
Molecular Weight355.14 g/mol
Exact Mass354.01
IUPAC Name4-chloro-3-(4-chloro-3-ethoxyphenoxy)-1-methyl-5-(trifluoromethyl)pyrazole
SMILESCCOc1cc(Oc2nn(C)c(C(F)(F)F)c2Cl)ccc1Cl
InChIInChI=1S/C13H11Cl2F3N2O2/c1-3-21-9-6-7(4-5-8(9)14)22-12-10(15)11(13(16,17)18)20(2)19-12/h4-6H,3H2,1-2H3
InChIKeyHXZUKSWIFUKILV-UHFFFAOYSA-N
XLogP4.94
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.14
LogP ≤ 54.94
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-ethoxyphenoxy)-1-methyl-5-(trifluoromethyl)pyrazole?
The IUPAC name of 4-chloro-3-(4-chloro-3-ethoxyphenoxy)-1-methyl-5-(trifluoromethyl)pyrazole (CID 19779914) is 4-chloro-3-(4-chloro-3-ethoxyphenoxy)-1-methyl-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4-chloro-3-(4-chloro-3-ethoxyphenoxy)-1-methyl-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 4-chloro-3-(4-chloro-3-ethoxyphenoxy)-1-methyl-5-(trifluoromethyl)pyrazole is CCOc1cc(Oc2nn(C)c(C(F)(F)F)c2Cl)ccc1Cl.
What is the InChIKey of 4-chloro-3-(4-chloro-3-ethoxyphenoxy)-1-methyl-5-(trifluoromethyl)pyrazole?
The InChIKey is HXZUKSWIFUKILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2F3N2O2/c1-3-21-9-6-7(4-5-8(9)14)22-12-10(15)11(13(16,17)18)20(2)19-12/h4-6H,3H2,1-2H3.
What are the key properties of 4-chloro-3-(4-chloro-3-ethoxyphenoxy)-1-methyl-5-(trifluoromethyl)pyrazole?
4-chloro-3-(4-chloro-3-ethoxyphenoxy)-1-methyl-5-(trifluoromethyl)pyrazole has a molecular weight of 355.14 g/mol, XLogP of 4.94, 4 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-ethoxyphenoxy)-1-methyl-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 19779914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).