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

C7H8F3IN2O — CID 121211562

IUPAC2-[4-iodo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol
SMILESCc1c(I)c(C(F)(F)F)nn1CCO
InChIInChI=1S/C7H8F3IN2O/c1-4-5(11)6(7(8,9)10)12-13(4)2-3-14/h14H,2-3H2,1H3
InChIKeyZYYCMBQBWOXSPI-UHFFFAOYSA-N
MW320.05 g/mol
LogP1.81
Rot. Bonds2

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

2-[4-iodo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol (PubChem CID 121211562) has the molecular formula C7H8F3IN2O and a molecular weight of 320.05 g/mol. Its IUPAC name is 2-[4-iodo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-iodo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol
PubChem CID121211562
Molecular FormulaC7H8F3IN2O
Molecular Weight320.05 g/mol
Exact Mass319.96
IUPAC Name2-[4-iodo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol
SMILESCc1c(I)c(C(F)(F)F)nn1CCO
InChIInChI=1S/C7H8F3IN2O/c1-4-5(11)6(7(8,9)10)12-13(4)2-3-14/h14H,2-3H2,1H3
InChIKeyZYYCMBQBWOXSPI-UHFFFAOYSA-N
XLogP1.81
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.05
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-iodo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-iodo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol (CID 121211562) is 2-[4-iodo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-iodo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-iodo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol is Cc1c(I)c(C(F)(F)F)nn1CCO.
What is the InChIKey of 2-[4-iodo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol?
The InChIKey is ZYYCMBQBWOXSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3IN2O/c1-4-5(11)6(7(8,9)10)12-13(4)2-3-14/h14H,2-3H2,1H3.
What are the key properties of 2-[4-iodo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol?
2-[4-iodo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol has a molecular weight of 320.05 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-iodo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 121211562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).