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

C11H13F3N2O2 — CID 71184930

IUPACethyl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetate
SMILESCCOC(=O)Cn1nc2c(c1C(F)(F)F)CCC2
InChIInChI=1S/C11H13F3N2O2/c1-2-18-9(17)6-16-10(11(12,13)14)7-4-3-5-8(7)15-16/h2-6H2,1H3
InChIKeyUIEAKOLHJMRUPL-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.95
Rot. Bonds3

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

ethyl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetate (PubChem CID 71184930) 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[c]pyrazol-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetate
PubChem CID71184930
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Nameethyl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetate
SMILESCCOC(=O)Cn1nc2c(c1C(F)(F)F)CCC2
InChIInChI=1S/C11H13F3N2O2/c1-2-18-9(17)6-16-10(11(12,13)14)7-4-3-5-8(7)15-16/h2-6H2,1H3
InChIKeyUIEAKOLHJMRUPL-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

Analyze ethyl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(trifluoromethyl)-1H,4H,5H,6H-cyclopenta[c]pyrazol-1-yl]acetic acid
CID 653577
methyl [3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetate
CID 788041
propan-2-yl [3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetate
CID 788044
Ethyl 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetate
CID 6620904
Methyl 5,6-dihydro-3-(trifluoromethyl)-1(4H)-cyclopentapyrazoleacetate
CID 788045
3-(Difluoromethyl)-5,6-dihydro-1(4H)-cyclopentapyrazoleacetic acid
CID 19614722
Ethyl 2-((3bS,4aR)-5,5-difluoro-3-(trifluoromethyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa(3,4)cyclopenta(1,2-c)pyrazol-1-yl)acetate
CID 139533037
Ethyl 2-(3-(trifluoromethyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl)acetate
CID 71186870
2-[3-(trifluoromethyl)-1H,4H,5H,6H-cyclopenta[c]pyrazol-1-yl]propanoic acid
CID 19616916
1-Methylethyl 5,6-dihydro-3-(trifluoromethyl)-1(4H)-cyclopentapyrazoleacetate
CID 788047
1-(morpholin-4-yl)-2-[3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]ethanone
CID 1223613
ethyl [5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetate
CID 7017154

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetate?
The IUPAC name of ethyl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetate (CID 71184930) is ethyl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetate.
What is the SMILES notation for ethyl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetate?
The canonical SMILES for ethyl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetate is CCOC(=O)Cn1nc2c(c1C(F)(F)F)CCC2.
What is the InChIKey of ethyl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetate?
The InChIKey is UIEAKOLHJMRUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c1-2-18-9(17)6-16-10(11(12,13)14)7-4-3-5-8(7)15-16/h2-6H2,1H3.
What are the key properties of ethyl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetate?
ethyl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-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[c]pyrazol-2-yl]acetate is sourced from PubChem (CID 71184930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).