4-iodo-3,5-dimethyl-1-[2-(trifluoromethoxy)ethyl]pyrazole

C8H10F3IN2O — CID 79785140

IUPAC4-iodo-3,5-dimethyl-1-[2-(trifluoromethoxy)ethyl]pyrazole
SMILESCc1nn(CCOC(F)(F)F)c(C)c1I
InChIInChI=1S/C8H10F3IN2O/c1-5-7(12)6(2)14(13-5)3-4-15-8(9,10)11/h3-4H2,1-2H3
InChIKeyFPBZVFBKPVRDLF-UHFFFAOYSA-N
MW334.08 g/mol
LogP2.64
Rot. Bonds3

About 4-iodo-3,5-dimethyl-1-[2-(trifluoromethoxy)ethyl]pyrazole

4-iodo-3,5-dimethyl-1-[2-(trifluoromethoxy)ethyl]pyrazole (PubChem CID 79785140) has the molecular formula C8H10F3IN2O and a molecular weight of 334.08 g/mol. Its IUPAC name is 4-iodo-3,5-dimethyl-1-[2-(trifluoromethoxy)ethyl]pyrazole.

Molecular Properties

Compound Name4-iodo-3,5-dimethyl-1-[2-(trifluoromethoxy)ethyl]pyrazole
PubChem CID79785140
Molecular FormulaC8H10F3IN2O
Molecular Weight334.08 g/mol
Exact Mass333.98
IUPAC Name4-iodo-3,5-dimethyl-1-[2-(trifluoromethoxy)ethyl]pyrazole
SMILESCc1nn(CCOC(F)(F)F)c(C)c1I
InChIInChI=1S/C8H10F3IN2O/c1-5-7(12)6(2)14(13-5)3-4-15-8(9,10)11/h3-4H2,1-2H3
InChIKeyFPBZVFBKPVRDLF-UHFFFAOYSA-N
XLogP2.64
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.08
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-iodo-3,5-dimethyl-1-[2-(trifluoromethoxy)ethyl]pyrazole 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 4-iodo-3,5-dimethyl-1-[2-(trifluoromethoxy)ethyl]pyrazole?
The IUPAC name of 4-iodo-3,5-dimethyl-1-[2-(trifluoromethoxy)ethyl]pyrazole (CID 79785140) is 4-iodo-3,5-dimethyl-1-[2-(trifluoromethoxy)ethyl]pyrazole.
What is the SMILES notation for 4-iodo-3,5-dimethyl-1-[2-(trifluoromethoxy)ethyl]pyrazole?
The canonical SMILES for 4-iodo-3,5-dimethyl-1-[2-(trifluoromethoxy)ethyl]pyrazole is Cc1nn(CCOC(F)(F)F)c(C)c1I.
What is the InChIKey of 4-iodo-3,5-dimethyl-1-[2-(trifluoromethoxy)ethyl]pyrazole?
The InChIKey is FPBZVFBKPVRDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3IN2O/c1-5-7(12)6(2)14(13-5)3-4-15-8(9,10)11/h3-4H2,1-2H3.
What are the key properties of 4-iodo-3,5-dimethyl-1-[2-(trifluoromethoxy)ethyl]pyrazole?
4-iodo-3,5-dimethyl-1-[2-(trifluoromethoxy)ethyl]pyrazole has a molecular weight of 334.08 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-3,5-dimethyl-1-[2-(trifluoromethoxy)ethyl]pyrazole is sourced from PubChem (CID 79785140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).