1-ethoxy-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol

C9H13F3N2O2 — CID 63932358

IUPAC1-ethoxy-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
SMILESCCOCC(O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C9H13F3N2O2/c1-2-16-6-7(15)5-14-4-3-8(13-14)9(10,11)12/h3-4,7,15H,2,5-6H2,1H3
InChIKeySEEAOAZDBBUPTA-UHFFFAOYSA-N
MW238.21 g/mol
LogP1.30
Rot. Bonds5

About 1-ethoxy-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol

1-ethoxy-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol (PubChem CID 63932358) has the molecular formula C9H13F3N2O2 and a molecular weight of 238.21 g/mol. Its IUPAC name is 1-ethoxy-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-ethoxy-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
PubChem CID63932358
Molecular FormulaC9H13F3N2O2
Molecular Weight238.21 g/mol
Exact Mass238.09
IUPAC Name1-ethoxy-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
SMILESCCOCC(O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C9H13F3N2O2/c1-2-16-6-7(15)5-14-4-3-8(13-14)9(10,11)12/h3-4,7,15H,2,5-6H2,1H3
InChIKeySEEAOAZDBBUPTA-UHFFFAOYSA-N
XLogP1.30
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-ethoxy-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol 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 1-ethoxy-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
The IUPAC name of 1-ethoxy-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol (CID 63932358) is 1-ethoxy-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol.
What is the SMILES notation for 1-ethoxy-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
The canonical SMILES for 1-ethoxy-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol is CCOCC(O)Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of 1-ethoxy-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
The InChIKey is SEEAOAZDBBUPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O2/c1-2-16-6-7(15)5-14-4-3-8(13-14)9(10,11)12/h3-4,7,15H,2,5-6H2,1H3.
What are the key properties of 1-ethoxy-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
1-ethoxy-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol has a molecular weight of 238.21 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol is sourced from PubChem (CID 63932358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).