ethyl 2-[3-(trifluoromethyl)-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]acetate

C10H11F3N2O2S — CID 71185130

IUPACethyl 2-[3-(trifluoromethyl)-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]acetate
SMILESCCOC(=O)Cn1nc2c(c1C(F)(F)F)CSC2
InChIInChI=1S/C10H11F3N2O2S/c1-2-17-8(16)3-15-9(10(11,12)13)6-4-18-5-7(6)14-15/h2-5H2,1H3
InChIKeyXRUBYBZGPDRIMA-UHFFFAOYSA-N
MW280.27 g/mol
LogP2.21
Rot. Bonds3

About ethyl 2-[3-(trifluoromethyl)-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]acetate

ethyl 2-[3-(trifluoromethyl)-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]acetate (PubChem CID 71185130) has the molecular formula C10H11F3N2O2S and a molecular weight of 280.27 g/mol. Its IUPAC name is ethyl 2-[3-(trifluoromethyl)-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(trifluoromethyl)-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]acetate
PubChem CID71185130
Molecular FormulaC10H11F3N2O2S
Molecular Weight280.27 g/mol
Exact Mass280.05
IUPAC Nameethyl 2-[3-(trifluoromethyl)-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]acetate
SMILESCCOC(=O)Cn1nc2c(c1C(F)(F)F)CSC2
InChIInChI=1S/C10H11F3N2O2S/c1-2-17-8(16)3-15-9(10(11,12)13)6-4-18-5-7(6)14-15/h2-5H2,1H3
InChIKeyXRUBYBZGPDRIMA-UHFFFAOYSA-N
XLogP2.21
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[3-(trifluoromethyl)-4,6-dihydrothieno[3,4-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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(trifluoromethyl)-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]acetate?
The IUPAC name of ethyl 2-[3-(trifluoromethyl)-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]acetate (CID 71185130) is ethyl 2-[3-(trifluoromethyl)-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]acetate.
What is the SMILES notation for ethyl 2-[3-(trifluoromethyl)-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]acetate?
The canonical SMILES for ethyl 2-[3-(trifluoromethyl)-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]acetate is CCOC(=O)Cn1nc2c(c1C(F)(F)F)CSC2.
What is the InChIKey of ethyl 2-[3-(trifluoromethyl)-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]acetate?
The InChIKey is XRUBYBZGPDRIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2S/c1-2-17-8(16)3-15-9(10(11,12)13)6-4-18-5-7(6)14-15/h2-5H2,1H3.
What are the key properties of ethyl 2-[3-(trifluoromethyl)-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]acetate?
ethyl 2-[3-(trifluoromethyl)-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]acetate has a molecular weight of 280.27 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(trifluoromethyl)-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]acetate is sourced from PubChem (CID 71185130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).