5,5,5-trifluoro-1-(1-methylindazol-3-yl)pentan-2-ol

C13H15F3N2O — CID 79954762

IUPAC5,5,5-trifluoro-1-(1-methylindazol-3-yl)pentan-2-ol
SMILESCn1nc(CC(O)CCC(F)(F)F)c2ccccc21
InChIInChI=1S/C13H15F3N2O/c1-18-12-5-3-2-4-10(12)11(17-18)8-9(19)6-7-13(14,15)16/h2-5,9,19H,6-8H2,1H3
InChIKeyOMFTVIAUGXBODA-UHFFFAOYSA-N
MW272.27 g/mol
LogP2.82
Rot. Bonds4

About 5,5,5-trifluoro-1-(1-methylindazol-3-yl)pentan-2-ol

5,5,5-trifluoro-1-(1-methylindazol-3-yl)pentan-2-ol (PubChem CID 79954762) has the molecular formula C13H15F3N2O and a molecular weight of 272.27 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(1-methylindazol-3-yl)pentan-2-ol.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(1-methylindazol-3-yl)pentan-2-ol
PubChem CID79954762
Molecular FormulaC13H15F3N2O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC Name5,5,5-trifluoro-1-(1-methylindazol-3-yl)pentan-2-ol
SMILESCn1nc(CC(O)CCC(F)(F)F)c2ccccc21
InChIInChI=1S/C13H15F3N2O/c1-18-12-5-3-2-4-10(12)11(17-18)8-9(19)6-7-13(14,15)16/h2-5,9,19H,6-8H2,1H3
InChIKeyOMFTVIAUGXBODA-UHFFFAOYSA-N
XLogP2.82
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5,5,5-trifluoro-1-(1-methylindazol-3-yl)pentan-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

Related Compounds

[5,5,5-trifluoro-1-(1-methylindazol-3-yl)pentan-2-yl]hydrazine
CID 105248982
3,3-dimethyl-2-[(1-methylindazol-3-yl)methyl]butanoic acid
CID 83137512
3-ethoxy-4,4-dimethyl-1-(1-methylindazol-3-yl)pentan-2-ol
CID 116713352
methoxymethane;(1-methylindazol-3-yl)methanol
CID 91551429
3-ethoxy-1-(1-methylindazol-3-yl)hexan-2-ol
CID 116711328
N,3,3-trimethyl-2-[(1-methylindazol-3-yl)methyl]butan-1-amine
CID 83139294
1-(2-chloro-3-fluorophenyl)-2-(1-methylindazol-3-yl)ethanol
CID 115815135
1-[1-hydroxy-2-(1-methylindazol-3-yl)ethyl]cycloheptan-1-ol
CID 103452206
2-ethyl-2-[(1-methylindazol-3-yl)methyl]propane-1,3-diol
CID 79450032
1-(3-methylfuran-2-yl)-2-(1-methylindazol-3-yl)ethanol
CID 104800718
2-fluoro-3-methyl-2-[(1-methylindazol-3-yl)methyl]butan-1-amine
CID 112566831
N-methyl-N-[(1-methylindazol-3-yl)methyl]hydroxylamine
CID 82604100

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(1-methylindazol-3-yl)pentan-2-ol?
The IUPAC name of 5,5,5-trifluoro-1-(1-methylindazol-3-yl)pentan-2-ol (CID 79954762) is 5,5,5-trifluoro-1-(1-methylindazol-3-yl)pentan-2-ol.
What is the SMILES notation for 5,5,5-trifluoro-1-(1-methylindazol-3-yl)pentan-2-ol?
The canonical SMILES for 5,5,5-trifluoro-1-(1-methylindazol-3-yl)pentan-2-ol is Cn1nc(CC(O)CCC(F)(F)F)c2ccccc21.
What is the InChIKey of 5,5,5-trifluoro-1-(1-methylindazol-3-yl)pentan-2-ol?
The InChIKey is OMFTVIAUGXBODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O/c1-18-12-5-3-2-4-10(12)11(17-18)8-9(19)6-7-13(14,15)16/h2-5,9,19H,6-8H2,1H3.
What are the key properties of 5,5,5-trifluoro-1-(1-methylindazol-3-yl)pentan-2-ol?
5,5,5-trifluoro-1-(1-methylindazol-3-yl)pentan-2-ol has a molecular weight of 272.27 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-(1-methylindazol-3-yl)pentan-2-ol is sourced from PubChem (CID 79954762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).