ethyl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetate

C11H13F3N2O2 — CID 71204618

IUPACethyl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetate
SMILESCCOC(=O)Cn1nc(C(F)(F)F)c2c1CCC2
InChIInChI=1S/C11H13F3N2O2/c1-2-18-9(17)6-16-8-5-3-4-7(8)10(15-16)11(12,13)14/h2-6H2,1H3
InChIKeyYWLHLYOAYWUOIL-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.95
Rot. Bonds3

About ethyl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetate

ethyl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetate (PubChem CID 71204618) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is ethyl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetate
PubChem CID71204618
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Nameethyl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetate
SMILESCCOC(=O)Cn1nc(C(F)(F)F)c2c1CCC2
InChIInChI=1S/C11H13F3N2O2/c1-2-18-9(17)6-16-8-5-3-4-7(8)10(15-16)11(12,13)14/h2-6H2,1H3
InChIKeyYWLHLYOAYWUOIL-UHFFFAOYSA-N
XLogP1.95
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetate?
The IUPAC name of ethyl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetate (CID 71204618) is ethyl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetate is CCOC(=O)Cn1nc(C(F)(F)F)c2c1CCC2.
What is the InChIKey of ethyl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetate?
The InChIKey is YWLHLYOAYWUOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c1-2-18-9(17)6-16-8-5-3-4-7(8)10(15-16)11(12,13)14/h2-6H2,1H3.
What are the key properties of ethyl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetate?
ethyl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetate has a molecular weight of 262.23 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetate is sourced from PubChem (CID 71204618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).