2,3-dichloro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]oxyaniline

C11H8Cl2F3N3O — CID 67817650

IUPAC2,3-dichloro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]oxyaniline
SMILESCn1cc(Oc2ccc(N)c(Cl)c2Cl)c(C(F)(F)F)n1
InChIInChI=1S/C11H8Cl2F3N3O/c1-19-4-7(10(18-19)11(14,15)16)20-6-3-2-5(17)8(12)9(6)13/h2-4H,17H2,1H3
InChIKeyMZHSZPUTRDDZBG-UHFFFAOYSA-N
MW326.11 g/mol
LogP4.12
Rot. Bonds2

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

2,3-dichloro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]oxyaniline (PubChem CID 67817650) has the molecular formula C11H8Cl2F3N3O and a molecular weight of 326.11 g/mol. Its IUPAC name is 2,3-dichloro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]oxyaniline.

Molecular Properties

Compound Name2,3-dichloro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]oxyaniline
PubChem CID67817650
Molecular FormulaC11H8Cl2F3N3O
Molecular Weight326.11 g/mol
Exact Mass325.00
IUPAC Name2,3-dichloro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]oxyaniline
SMILESCn1cc(Oc2ccc(N)c(Cl)c2Cl)c(C(F)(F)F)n1
InChIInChI=1S/C11H8Cl2F3N3O/c1-19-4-7(10(18-19)11(14,15)16)20-6-3-2-5(17)8(12)9(6)13/h2-4H,17H2,1H3
InChIKeyMZHSZPUTRDDZBG-UHFFFAOYSA-N
XLogP4.12
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.11
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]oxyaniline?
The IUPAC name of 2,3-dichloro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]oxyaniline (CID 67817650) is 2,3-dichloro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]oxyaniline.
What is the SMILES notation for 2,3-dichloro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]oxyaniline?
The canonical SMILES for 2,3-dichloro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]oxyaniline is Cn1cc(Oc2ccc(N)c(Cl)c2Cl)c(C(F)(F)F)n1.
What is the InChIKey of 2,3-dichloro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]oxyaniline?
The InChIKey is MZHSZPUTRDDZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2F3N3O/c1-19-4-7(10(18-19)11(14,15)16)20-6-3-2-5(17)8(12)9(6)13/h2-4H,17H2,1H3.
What are the key properties of 2,3-dichloro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]oxyaniline?
2,3-dichloro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]oxyaniline has a molecular weight of 326.11 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]oxyaniline is sourced from PubChem (CID 67817650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).