3-methyl-1-pyrazin-2-yl-2-[4-(trifluoromethyl)phenyl]butan-2-ol

C16H17F3N2O — CID 70511685

IUPAC3-methyl-1-pyrazin-2-yl-2-[4-(trifluoromethyl)phenyl]butan-2-ol
SMILESCC(C)C(O)(Cc1cnccn1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H17F3N2O/c1-11(2)15(22,9-14-10-20-7-8-21-14)12-3-5-13(6-4-12)16(17,18)19/h3-8,10-11,22H,9H2,1-2H3
InChIKeyLXFQTLMVYSJJKX-UHFFFAOYSA-N
MW310.32 g/mol
LogP3.58
Rot. Bonds4

About 3-methyl-1-pyrazin-2-yl-2-[4-(trifluoromethyl)phenyl]butan-2-ol

3-methyl-1-pyrazin-2-yl-2-[4-(trifluoromethyl)phenyl]butan-2-ol (PubChem CID 70511685) has the molecular formula C16H17F3N2O and a molecular weight of 310.32 g/mol. Its IUPAC name is 3-methyl-1-pyrazin-2-yl-2-[4-(trifluoromethyl)phenyl]butan-2-ol.

Molecular Properties

Compound Name3-methyl-1-pyrazin-2-yl-2-[4-(trifluoromethyl)phenyl]butan-2-ol
PubChem CID70511685
Molecular FormulaC16H17F3N2O
Molecular Weight310.32 g/mol
Exact Mass310.13
IUPAC Name3-methyl-1-pyrazin-2-yl-2-[4-(trifluoromethyl)phenyl]butan-2-ol
SMILESCC(C)C(O)(Cc1cnccn1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H17F3N2O/c1-11(2)15(22,9-14-10-20-7-8-21-14)12-3-5-13(6-4-12)16(17,18)19/h3-8,10-11,22H,9H2,1-2H3
InChIKeyLXFQTLMVYSJJKX-UHFFFAOYSA-N
XLogP3.58
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-1-pyrazin-2-yl-2-[4-(trifluoromethyl)phenyl]butan-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-methyl-1-pyrazin-2-yl-2-[4-(trifluoromethyl)phenyl]butan-2-ol?
The IUPAC name of 3-methyl-1-pyrazin-2-yl-2-[4-(trifluoromethyl)phenyl]butan-2-ol (CID 70511685) is 3-methyl-1-pyrazin-2-yl-2-[4-(trifluoromethyl)phenyl]butan-2-ol.
What is the SMILES notation for 3-methyl-1-pyrazin-2-yl-2-[4-(trifluoromethyl)phenyl]butan-2-ol?
The canonical SMILES for 3-methyl-1-pyrazin-2-yl-2-[4-(trifluoromethyl)phenyl]butan-2-ol is CC(C)C(O)(Cc1cnccn1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-methyl-1-pyrazin-2-yl-2-[4-(trifluoromethyl)phenyl]butan-2-ol?
The InChIKey is LXFQTLMVYSJJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O/c1-11(2)15(22,9-14-10-20-7-8-21-14)12-3-5-13(6-4-12)16(17,18)19/h3-8,10-11,22H,9H2,1-2H3.
What are the key properties of 3-methyl-1-pyrazin-2-yl-2-[4-(trifluoromethyl)phenyl]butan-2-ol?
3-methyl-1-pyrazin-2-yl-2-[4-(trifluoromethyl)phenyl]butan-2-ol has a molecular weight of 310.32 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-pyrazin-2-yl-2-[4-(trifluoromethyl)phenyl]butan-2-ol is sourced from PubChem (CID 70511685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).