2-[4-methyl-3,5-bis(trifluoromethyl)pyrazol-1-yl]ethanol

C8H8F6N2O — CID 88882444

IUPAC2-[4-methyl-3,5-bis(trifluoromethyl)pyrazol-1-yl]ethanol
SMILESCc1c(C(F)(F)F)nn(CCO)c1C(F)(F)F
InChIInChI=1S/C8H8F6N2O/c1-4-5(7(9,10)11)15-16(2-3-17)6(4)8(12,13)14/h17H,2-3H2,1H3
InChIKeyFEVXUUBMFZLVQR-UHFFFAOYSA-N
MW262.15 g/mol
LogP2.22
Rot. Bonds2

About 2-[4-methyl-3,5-bis(trifluoromethyl)pyrazol-1-yl]ethanol

2-[4-methyl-3,5-bis(trifluoromethyl)pyrazol-1-yl]ethanol (PubChem CID 88882444) has the molecular formula C8H8F6N2O and a molecular weight of 262.15 g/mol. Its IUPAC name is 2-[4-methyl-3,5-bis(trifluoromethyl)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-methyl-3,5-bis(trifluoromethyl)pyrazol-1-yl]ethanol
PubChem CID88882444
Molecular FormulaC8H8F6N2O
Molecular Weight262.15 g/mol
Exact Mass262.05
IUPAC Name2-[4-methyl-3,5-bis(trifluoromethyl)pyrazol-1-yl]ethanol
SMILESCc1c(C(F)(F)F)nn(CCO)c1C(F)(F)F
InChIInChI=1S/C8H8F6N2O/c1-4-5(7(9,10)11)15-16(2-3-17)6(4)8(12,13)14/h17H,2-3H2,1H3
InChIKeyFEVXUUBMFZLVQR-UHFFFAOYSA-N
XLogP2.22
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.15
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-methyl-3,5-bis(trifluoromethyl)pyrazol-1-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 2-[4-methyl-3,5-bis(trifluoromethyl)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-methyl-3,5-bis(trifluoromethyl)pyrazol-1-yl]ethanol (CID 88882444) is 2-[4-methyl-3,5-bis(trifluoromethyl)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-methyl-3,5-bis(trifluoromethyl)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-methyl-3,5-bis(trifluoromethyl)pyrazol-1-yl]ethanol is Cc1c(C(F)(F)F)nn(CCO)c1C(F)(F)F.
What is the InChIKey of 2-[4-methyl-3,5-bis(trifluoromethyl)pyrazol-1-yl]ethanol?
The InChIKey is FEVXUUBMFZLVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F6N2O/c1-4-5(7(9,10)11)15-16(2-3-17)6(4)8(12,13)14/h17H,2-3H2,1H3.
What are the key properties of 2-[4-methyl-3,5-bis(trifluoromethyl)pyrazol-1-yl]ethanol?
2-[4-methyl-3,5-bis(trifluoromethyl)pyrazol-1-yl]ethanol has a molecular weight of 262.15 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-3,5-bis(trifluoromethyl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 88882444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).