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

C12H15F3N2O2 — CID 788047

IUPACpropan-2-yl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetate
SMILESCC(C)OC(=O)Cn1nc(C(F)(F)F)c2c1CCC2
InChIInChI=1S/C12H15F3N2O2/c1-7(2)19-10(18)6-17-9-5-3-4-8(9)11(16-17)12(13,14)15/h7H,3-6H2,1-2H3
InChIKeyCIXZDTKKLHMBFK-UHFFFAOYSA-N
MW276.26 g/mol
LogP2.34
Rot. Bonds3

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

propan-2-yl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetate (PubChem CID 788047) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is propan-2-yl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetate
PubChem CID788047
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Namepropan-2-yl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetate
SMILESCC(C)OC(=O)Cn1nc(C(F)(F)F)c2c1CCC2
InChIInChI=1S/C12H15F3N2O2/c1-7(2)19-10(18)6-17-9-5-3-4-8(9)11(16-17)12(13,14)15/h7H,3-6H2,1-2H3
InChIKeyCIXZDTKKLHMBFK-UHFFFAOYSA-N
XLogP2.34
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetate?
The IUPAC name of propan-2-yl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetate (CID 788047) is propan-2-yl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetate.
What is the SMILES notation for propan-2-yl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetate?
The canonical SMILES for propan-2-yl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetate is CC(C)OC(=O)Cn1nc(C(F)(F)F)c2c1CCC2.
What is the InChIKey of propan-2-yl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetate?
The InChIKey is CIXZDTKKLHMBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-7(2)19-10(18)6-17-9-5-3-4-8(9)11(16-17)12(13,14)15/h7H,3-6H2,1-2H3.
What are the key properties of propan-2-yl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetate?
propan-2-yl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetate has a molecular weight of 276.26 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetate is sourced from PubChem (CID 788047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).