ethyl 1-(2-fluoroethyl)-3-[3-(trifluoromethyl)phenoxy]pyrazole-4-carboxylate

C15H14F4N2O3 — CID 139934928

IUPACethyl 1-(2-fluoroethyl)-3-[3-(trifluoromethyl)phenoxy]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn(CCF)nc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H14F4N2O3/c1-2-23-14(22)12-9-21(7-6-16)20-13(12)24-11-5-3-4-10(8-11)15(17,18)19/h3-5,8-9H,2,6-7H2,1H3
InChIKeyQDKQMAFEIZVSGQ-UHFFFAOYSA-N
MW346.28 g/mol
LogP3.84
Rot. Bonds6

About ethyl 1-(2-fluoroethyl)-3-[3-(trifluoromethyl)phenoxy]pyrazole-4-carboxylate

ethyl 1-(2-fluoroethyl)-3-[3-(trifluoromethyl)phenoxy]pyrazole-4-carboxylate (PubChem CID 139934928) has the molecular formula C15H14F4N2O3 and a molecular weight of 346.28 g/mol. Its IUPAC name is ethyl 1-(2-fluoroethyl)-3-[3-(trifluoromethyl)phenoxy]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-fluoroethyl)-3-[3-(trifluoromethyl)phenoxy]pyrazole-4-carboxylate
PubChem CID139934928
Molecular FormulaC15H14F4N2O3
Molecular Weight346.28 g/mol
Exact Mass346.09
IUPAC Nameethyl 1-(2-fluoroethyl)-3-[3-(trifluoromethyl)phenoxy]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn(CCF)nc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H14F4N2O3/c1-2-23-14(22)12-9-21(7-6-16)20-13(12)24-11-5-3-4-10(8-11)15(17,18)19/h3-5,8-9H,2,6-7H2,1H3
InChIKeyQDKQMAFEIZVSGQ-UHFFFAOYSA-N
XLogP3.84
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.28
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[3-(trifluoromethyl)phenoxy]benzoate
CID 133061108
ethyl 3-[4-amino-3-(trifluoromethyl)phenoxy]-1-ethylpyrazole-4-carboxylate
CID 139934929
ethyl 3-[3-(trifluoromethyl)phenoxy]benzoate
CID 133056470
ethyl 5-chloro-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate
CID 66825644
ethyl 4-[3-(trifluoromethyl)phenoxy]benzoate
CID 4268945
ethyl 5-cyano-2-methyl-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate
CID 2786761
ethyl 2-phenyl-4-[3-(trifluoromethyl)phenoxy]pyrimidine-5-carboxylate
CID 1474616
ethyl 3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-1-methylpyrazole-4-carboxylate
CID 139934938
ethyl 2-propan-2-yl-4-[3-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carboxylate
CID 19991840
ethyl 5-cyano-2-phenyl-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate
CID 2769127
ethyl 1-methyl-3-[2-(trifluoromethyl)phenoxy]pyrazole-4-carboxylate
CID 139934970
ethyl 3-[3-(trifluoromethyl)phenoxy]-6,7-dihydro-5H-cyclopenta[c]pyridazine-4-carboxylate
CID 162385369

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-fluoroethyl)-3-[3-(trifluoromethyl)phenoxy]pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-(2-fluoroethyl)-3-[3-(trifluoromethyl)phenoxy]pyrazole-4-carboxylate (CID 139934928) is ethyl 1-(2-fluoroethyl)-3-[3-(trifluoromethyl)phenoxy]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-(2-fluoroethyl)-3-[3-(trifluoromethyl)phenoxy]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-(2-fluoroethyl)-3-[3-(trifluoromethyl)phenoxy]pyrazole-4-carboxylate is CCOC(=O)c1cn(CCF)nc1Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of ethyl 1-(2-fluoroethyl)-3-[3-(trifluoromethyl)phenoxy]pyrazole-4-carboxylate?
The InChIKey is QDKQMAFEIZVSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F4N2O3/c1-2-23-14(22)12-9-21(7-6-16)20-13(12)24-11-5-3-4-10(8-11)15(17,18)19/h3-5,8-9H,2,6-7H2,1H3.
What are the key properties of ethyl 1-(2-fluoroethyl)-3-[3-(trifluoromethyl)phenoxy]pyrazole-4-carboxylate?
ethyl 1-(2-fluoroethyl)-3-[3-(trifluoromethyl)phenoxy]pyrazole-4-carboxylate has a molecular weight of 346.28 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-fluoroethyl)-3-[3-(trifluoromethyl)phenoxy]pyrazole-4-carboxylate is sourced from PubChem (CID 139934928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).