1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-5-ol

C11H15F3N2O — CID 71204328

IUPAC1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-5-ol
SMILESCC(C)n1nc(C(F)(F)F)c2c1CCC(O)C2
InChIInChI=1S/C11H15F3N2O/c1-6(2)16-9-4-3-7(17)5-8(9)10(15-16)11(12,13)14/h6-7,17H,3-5H2,1-2H3
InChIKeyOTXYPEFOFSMOEO-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.33
Rot. Bonds1

About 1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-5-ol

1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-5-ol (PubChem CID 71204328) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is 1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-5-ol.

Molecular Properties

Compound Name1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-5-ol
PubChem CID71204328
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-5-ol
SMILESCC(C)n1nc(C(F)(F)F)c2c1CCC(O)C2
InChIInChI=1S/C11H15F3N2O/c1-6(2)16-9-4-3-7(17)5-8(9)10(15-16)11(12,13)14/h6-7,17H,3-5H2,1-2H3
InChIKeyOTXYPEFOFSMOEO-UHFFFAOYSA-N
XLogP2.33
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-5-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-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-5-ol?
The IUPAC name of 1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-5-ol (CID 71204328) is 1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-5-ol.
What is the SMILES notation for 1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-5-ol?
The canonical SMILES for 1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-5-ol is CC(C)n1nc(C(F)(F)F)c2c1CCC(O)C2.
What is the InChIKey of 1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-5-ol?
The InChIKey is OTXYPEFOFSMOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c1-6(2)16-9-4-3-7(17)5-8(9)10(15-16)11(12,13)14/h6-7,17H,3-5H2,1-2H3.
What are the key properties of 1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-5-ol?
1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-5-ol has a molecular weight of 248.25 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-5-ol is sourced from PubChem (CID 71204328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).