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

C10H11F3N2O2 — CID 788045

IUPACmethyl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetate
SMILESCOC(=O)Cn1nc(C(F)(F)F)c2c1CCC2
InChIInChI=1S/C10H11F3N2O2/c1-17-8(16)5-15-7-4-2-3-6(7)9(14-15)10(11,12)13/h2-5H2,1H3
InChIKeyVTEZFSZBHQUQON-UHFFFAOYSA-N
MW248.20 g/mol
LogP1.56
Rot. Bonds2

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

methyl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetate (PubChem CID 788045) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is methyl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetate
PubChem CID788045
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Namemethyl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetate
SMILESCOC(=O)Cn1nc(C(F)(F)F)c2c1CCC2
InChIInChI=1S/C10H11F3N2O2/c1-17-8(16)5-15-7-4-2-3-6(7)9(14-15)10(11,12)13/h2-5H2,1H3
InChIKeyVTEZFSZBHQUQON-UHFFFAOYSA-N
XLogP1.56
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetate?
The IUPAC name of methyl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetate (CID 788045) is methyl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetate.
What is the SMILES notation for methyl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetate?
The canonical SMILES for methyl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetate is COC(=O)Cn1nc(C(F)(F)F)c2c1CCC2.
What is the InChIKey of methyl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetate?
The InChIKey is VTEZFSZBHQUQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c1-17-8(16)5-15-7-4-2-3-6(7)9(14-15)10(11,12)13/h2-5H2,1H3.
What are the key properties of methyl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetate?
methyl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetate has a molecular weight of 248.20 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetate is sourced from PubChem (CID 788045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).