3-(4-ethylpyrazol-1-yl)-1,1,1-trifluoropropan-2-ol

C8H11F3N2O — CID 126846291

IUPAC3-(4-ethylpyrazol-1-yl)-1,1,1-trifluoropropan-2-ol
SMILESCCc1cnn(CC(O)C(F)(F)F)c1
InChIInChI=1S/C8H11F3N2O/c1-2-6-3-12-13(4-6)5-7(14)8(9,10)11/h3-4,7,14H,2,5H2,1H3
InChIKeyCORSTFCOBGSOMX-UHFFFAOYSA-N
MW208.18 g/mol
LogP1.37
Rot. Bonds3

About 3-(4-ethylpyrazol-1-yl)-1,1,1-trifluoropropan-2-ol

3-(4-ethylpyrazol-1-yl)-1,1,1-trifluoropropan-2-ol (PubChem CID 126846291) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is 3-(4-ethylpyrazol-1-yl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-(4-ethylpyrazol-1-yl)-1,1,1-trifluoropropan-2-ol
PubChem CID126846291
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC Name3-(4-ethylpyrazol-1-yl)-1,1,1-trifluoropropan-2-ol
SMILESCCc1cnn(CC(O)C(F)(F)F)c1
InChIInChI=1S/C8H11F3N2O/c1-2-6-3-12-13(4-6)5-7(14)8(9,10)11/h3-4,7,14H,2,5H2,1H3
InChIKeyCORSTFCOBGSOMX-UHFFFAOYSA-N
XLogP1.37
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-ethylpyrazol-1-yl)-1,1,1-trifluoropropan-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 3-(4-ethylpyrazol-1-yl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-(4-ethylpyrazol-1-yl)-1,1,1-trifluoropropan-2-ol (CID 126846291) is 3-(4-ethylpyrazol-1-yl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-(4-ethylpyrazol-1-yl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-(4-ethylpyrazol-1-yl)-1,1,1-trifluoropropan-2-ol is CCc1cnn(CC(O)C(F)(F)F)c1.
What is the InChIKey of 3-(4-ethylpyrazol-1-yl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is CORSTFCOBGSOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O/c1-2-6-3-12-13(4-6)5-7(14)8(9,10)11/h3-4,7,14H,2,5H2,1H3.
What are the key properties of 3-(4-ethylpyrazol-1-yl)-1,1,1-trifluoropropan-2-ol?
3-(4-ethylpyrazol-1-yl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 208.18 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpyrazol-1-yl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 126846291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).