2,2,2-trifluoro-1-[4-[(4-propan-2-ylpyrazol-1-yl)methyl]phenyl]ethanol

C15H17F3N2O — CID 170756622

IUPAC2,2,2-trifluoro-1-[4-[(4-propan-2-ylpyrazol-1-yl)methyl]phenyl]ethanol
SMILESCC(C)c1cnn(Cc2ccc(C(O)C(F)(F)F)cc2)c1
InChIInChI=1S/C15H17F3N2O/c1-10(2)13-7-19-20(9-13)8-11-3-5-12(6-4-11)14(21)15(16,17)18/h3-7,9-10,14,21H,8H2,1-2H3
InChIKeyTXMQYCNTIPQZDF-UHFFFAOYSA-N
MW298.31 g/mol
LogP3.65
Rot. Bonds4

About 2,2,2-trifluoro-1-[4-[(4-propan-2-ylpyrazol-1-yl)methyl]phenyl]ethanol

2,2,2-trifluoro-1-[4-[(4-propan-2-ylpyrazol-1-yl)methyl]phenyl]ethanol (PubChem CID 170756622) has the molecular formula C15H17F3N2O and a molecular weight of 298.31 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[4-[(4-propan-2-ylpyrazol-1-yl)methyl]phenyl]ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[4-[(4-propan-2-ylpyrazol-1-yl)methyl]phenyl]ethanol
PubChem CID170756622
Molecular FormulaC15H17F3N2O
Molecular Weight298.31 g/mol
Exact Mass298.13
IUPAC Name2,2,2-trifluoro-1-[4-[(4-propan-2-ylpyrazol-1-yl)methyl]phenyl]ethanol
SMILESCC(C)c1cnn(Cc2ccc(C(O)C(F)(F)F)cc2)c1
InChIInChI=1S/C15H17F3N2O/c1-10(2)13-7-19-20(9-13)8-11-3-5-12(6-4-11)14(21)15(16,17)18/h3-7,9-10,14,21H,8H2,1-2H3
InChIKeyTXMQYCNTIPQZDF-UHFFFAOYSA-N
XLogP3.65
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoro-1-[4-[(4-propan-2-ylpyrazol-1-yl)methyl]phenyl]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 2,2,2-trifluoro-1-[4-[(4-propan-2-ylpyrazol-1-yl)methyl]phenyl]ethanol?
The IUPAC name of 2,2,2-trifluoro-1-[4-[(4-propan-2-ylpyrazol-1-yl)methyl]phenyl]ethanol (CID 170756622) is 2,2,2-trifluoro-1-[4-[(4-propan-2-ylpyrazol-1-yl)methyl]phenyl]ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-[4-[(4-propan-2-ylpyrazol-1-yl)methyl]phenyl]ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-[4-[(4-propan-2-ylpyrazol-1-yl)methyl]phenyl]ethanol is CC(C)c1cnn(Cc2ccc(C(O)C(F)(F)F)cc2)c1.
What is the InChIKey of 2,2,2-trifluoro-1-[4-[(4-propan-2-ylpyrazol-1-yl)methyl]phenyl]ethanol?
The InChIKey is TXMQYCNTIPQZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O/c1-10(2)13-7-19-20(9-13)8-11-3-5-12(6-4-11)14(21)15(16,17)18/h3-7,9-10,14,21H,8H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-1-[4-[(4-propan-2-ylpyrazol-1-yl)methyl]phenyl]ethanol?
2,2,2-trifluoro-1-[4-[(4-propan-2-ylpyrazol-1-yl)methyl]phenyl]ethanol has a molecular weight of 298.31 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[4-[(4-propan-2-ylpyrazol-1-yl)methyl]phenyl]ethanol is sourced from PubChem (CID 170756622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).