ethyl 4-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzoate

C17H13F3N2O3 — CID 177207537

IUPACethyl 4-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzoate
SMILESCCOC(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccco2)cc1
InChIInChI=1S/C17H13F3N2O3/c1-2-24-16(23)11-5-7-12(8-6-11)22-13(14-4-3-9-25-14)10-15(21-22)17(18,19)20/h3-10H,2H2,1H3
InChIKeyLRJGGBVBLSPMPC-UHFFFAOYSA-N
MW350.30 g/mol
LogP4.33
Rot. Bonds4

About ethyl 4-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzoate

ethyl 4-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzoate (PubChem CID 177207537) has the molecular formula C17H13F3N2O3 and a molecular weight of 350.30 g/mol. Its IUPAC name is ethyl 4-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzoate.

Molecular Properties

Compound Nameethyl 4-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzoate
PubChem CID177207537
Molecular FormulaC17H13F3N2O3
Molecular Weight350.30 g/mol
Exact Mass350.09
IUPAC Nameethyl 4-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzoate
SMILESCCOC(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccco2)cc1
InChIInChI=1S/C17H13F3N2O3/c1-2-24-16(23)11-5-7-12(8-6-11)22-13(14-4-3-9-25-14)10-15(21-22)17(18,19)20/h3-10H,2H2,1H3
InChIKeyLRJGGBVBLSPMPC-UHFFFAOYSA-N
XLogP4.33
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[5-(trifluoromethoxy)-3-(trifluoromethyl)pyrazol-1-yl]benzoate
CID 58841914
1-(4-fluorophenyl)-5-(furan-2-yl)-3-(trifluoromethyl)pyrazole
CID 155676510
1-ethyl-5-(furan-2-yl)-3-(trifluoromethyl)pyrazole
CID 70851896
2-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide
CID 69300880
ethyl 3-(furan-2-yl)-7-[4-(trifluoromethyl)benzoyl]pyrrolo[1,2-c]pyrimidine-5-carboxylate
CID 4153674
5-[4-(furan-2-yl)-2-methylphenyl]-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole
CID 22316649
ethyl 4-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]benzoate
CID 162378409
methyl 4-[5-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]benzoate
CID 162378113
ethyl 3-amino-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate
CID 19571601
5-chloro-2-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]-3-methylpyridine
CID 162568526
ethane;ethyl 3-(furan-2-yl)-1-methylpyrazole-5-carboxylate
CID 143899550
2-methylpropyl 4-[[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]benzoate
CID 18832603

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzoate?
The IUPAC name of ethyl 4-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzoate (CID 177207537) is ethyl 4-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzoate.
What is the SMILES notation for ethyl 4-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzoate?
The canonical SMILES for ethyl 4-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzoate is CCOC(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccco2)cc1.
What is the InChIKey of ethyl 4-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzoate?
The InChIKey is LRJGGBVBLSPMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O3/c1-2-24-16(23)11-5-7-12(8-6-11)22-13(14-4-3-9-25-14)10-15(21-22)17(18,19)20/h3-10H,2H2,1H3.
What are the key properties of ethyl 4-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzoate?
ethyl 4-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzoate has a molecular weight of 350.30 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzoate is sourced from PubChem (CID 177207537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).