ethyl 3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-1-methylpyrazole-4-carboxylate

C14H11Cl2F3N2O3 — CID 139934938

IUPACethyl 3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-1-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cn(C)nc1Oc1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C14H11Cl2F3N2O3/c1-3-23-13(22)8-6-21(2)20-12(8)24-11-9(15)4-7(5-10(11)16)14(17,18)19/h4-6H,3H2,1-2H3
InChIKeyUREMYHRIOKICLV-UHFFFAOYSA-N
MW383.15 g/mol
LogP4.71
Rot. Bonds4

About ethyl 3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-1-methylpyrazole-4-carboxylate

ethyl 3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-1-methylpyrazole-4-carboxylate (PubChem CID 139934938) has the molecular formula C14H11Cl2F3N2O3 and a molecular weight of 383.15 g/mol. Its IUPAC name is ethyl 3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-1-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-1-methylpyrazole-4-carboxylate
PubChem CID139934938
Molecular FormulaC14H11Cl2F3N2O3
Molecular Weight383.15 g/mol
Exact Mass382.01
IUPAC Nameethyl 3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-1-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cn(C)nc1Oc1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C14H11Cl2F3N2O3/c1-3-23-13(22)8-6-21(2)20-12(8)24-11-9(15)4-7(5-10(11)16)14(17,18)19/h4-6H,3H2,1-2H3
InChIKeyUREMYHRIOKICLV-UHFFFAOYSA-N
XLogP4.71
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.15
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-1-methylpyrazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 1-methyl-3-[2-(trifluoromethyl)phenoxy]pyrazole-4-carboxylate
CID 139934970
3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-4,5-dimethylpyrazole-1-carboxamide
CID 91573870
ethyl 1-(2-fluoroethyl)-3-[3-(trifluoromethyl)phenoxy]pyrazole-4-carboxylate
CID 139934928
ethyl 5-bromo-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-methoxypyrazole-3-carboxylate
CID 54490511
ethyl 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate
CID 163342934
ethyl 5-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan-2-carboxylate
CID 170872080
ethyl 3-chloro-5-(trifluoromethyl)benzoate
CID 46311318
ethyl 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-nitroindazole-6-carboxylate
CID 19737188
ethyl 5-chloro-2-methylpyrazolo[4,3-b]pyridine-7-carboxylate
CID 169206457
ethyl 3-tert-butyl-1-[4-chloro-3-(trifluoromethyl)phenyl]pyrazole-4-carboxylate
CID 141218117
ethyl 3-[4-amino-3-(trifluoromethyl)phenoxy]-1-ethylpyrazole-4-carboxylate
CID 139934929
diethyl 4,5-dichlorobenzene-1,2-dicarboxylate
CID 10517655

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-1-methylpyrazole-4-carboxylate?
The IUPAC name of ethyl 3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-1-methylpyrazole-4-carboxylate (CID 139934938) is ethyl 3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-1-methylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-1-methylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-1-methylpyrazole-4-carboxylate is CCOC(=O)c1cn(C)nc1Oc1c(Cl)cc(C(F)(F)F)cc1Cl.
What is the InChIKey of ethyl 3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-1-methylpyrazole-4-carboxylate?
The InChIKey is UREMYHRIOKICLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2F3N2O3/c1-3-23-13(22)8-6-21(2)20-12(8)24-11-9(15)4-7(5-10(11)16)14(17,18)19/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-1-methylpyrazole-4-carboxylate?
ethyl 3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-1-methylpyrazole-4-carboxylate has a molecular weight of 383.15 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-1-methylpyrazole-4-carboxylate is sourced from PubChem (CID 139934938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).