1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanol

C9H13F3N2O — CID 62729807

IUPAC1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanol
SMILESCc1nn(CC(F)(F)F)c(C)c1C(C)O
InChIInChI=1S/C9H13F3N2O/c1-5-8(7(3)15)6(2)14(13-5)4-9(10,11)12/h7,15H,4H2,1-3H3
InChIKeyQTAMXFDECBXUDK-UHFFFAOYSA-N
MW222.21 g/mol
LogP2.12
Rot. Bonds2

About 1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanol

1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanol (PubChem CID 62729807) has the molecular formula C9H13F3N2O and a molecular weight of 222.21 g/mol. Its IUPAC name is 1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanol
PubChem CID62729807
Molecular FormulaC9H13F3N2O
Molecular Weight222.21 g/mol
Exact Mass222.10
IUPAC Name1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanol
SMILESCc1nn(CC(F)(F)F)c(C)c1C(C)O
InChIInChI=1S/C9H13F3N2O/c1-5-8(7(3)15)6(2)14(13-5)4-9(10,11)12/h7,15H,4H2,1-3H3
InChIKeyQTAMXFDECBXUDK-UHFFFAOYSA-N
XLogP2.12
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanol 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-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanol?
The IUPAC name of 1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanol (CID 62729807) is 1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanol.
What is the SMILES notation for 1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanol?
The canonical SMILES for 1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanol is Cc1nn(CC(F)(F)F)c(C)c1C(C)O.
What is the InChIKey of 1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanol?
The InChIKey is QTAMXFDECBXUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O/c1-5-8(7(3)15)6(2)14(13-5)4-9(10,11)12/h7,15H,4H2,1-3H3.
What are the key properties of 1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanol?
1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanol has a molecular weight of 222.21 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanol is sourced from PubChem (CID 62729807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).