1-(2-fluorophenyl)-5-methyl-3-(2,2,2-trifluoroethoxy)pyrazole

C12H10F4N2O — CID 71228462

IUPAC1-(2-fluorophenyl)-5-methyl-3-(2,2,2-trifluoroethoxy)pyrazole
SMILESCc1cc(OCC(F)(F)F)nn1-c1ccccc1F
InChIInChI=1S/C12H10F4N2O/c1-8-6-11(19-7-12(14,15)16)17-18(8)10-5-3-2-4-9(10)13/h2-6H,7H2,1H3
InChIKeySEEOGKFYPONNOK-UHFFFAOYSA-N
MW274.22 g/mol
LogP3.26
Rot. Bonds3

About 1-(2-fluorophenyl)-5-methyl-3-(2,2,2-trifluoroethoxy)pyrazole

1-(2-fluorophenyl)-5-methyl-3-(2,2,2-trifluoroethoxy)pyrazole (PubChem CID 71228462) has the molecular formula C12H10F4N2O and a molecular weight of 274.22 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-5-methyl-3-(2,2,2-trifluoroethoxy)pyrazole.

Molecular Properties

Compound Name1-(2-fluorophenyl)-5-methyl-3-(2,2,2-trifluoroethoxy)pyrazole
PubChem CID71228462
Molecular FormulaC12H10F4N2O
Molecular Weight274.22 g/mol
Exact Mass274.07
IUPAC Name1-(2-fluorophenyl)-5-methyl-3-(2,2,2-trifluoroethoxy)pyrazole
SMILESCc1cc(OCC(F)(F)F)nn1-c1ccccc1F
InChIInChI=1S/C12H10F4N2O/c1-8-6-11(19-7-12(14,15)16)17-18(8)10-5-3-2-4-9(10)13/h2-6H,7H2,1H3
InChIKeySEEOGKFYPONNOK-UHFFFAOYSA-N
XLogP3.26
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.22
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2-fluorophenyl)-5-methyl-3-(2,2,2-trifluoroethoxy)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 1-(2-fluorophenyl)-5-methyl-3-(2,2,2-trifluoroethoxy)pyrazole?
The IUPAC name of 1-(2-fluorophenyl)-5-methyl-3-(2,2,2-trifluoroethoxy)pyrazole (CID 71228462) is 1-(2-fluorophenyl)-5-methyl-3-(2,2,2-trifluoroethoxy)pyrazole.
What is the SMILES notation for 1-(2-fluorophenyl)-5-methyl-3-(2,2,2-trifluoroethoxy)pyrazole?
The canonical SMILES for 1-(2-fluorophenyl)-5-methyl-3-(2,2,2-trifluoroethoxy)pyrazole is Cc1cc(OCC(F)(F)F)nn1-c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-5-methyl-3-(2,2,2-trifluoroethoxy)pyrazole?
The InChIKey is SEEOGKFYPONNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F4N2O/c1-8-6-11(19-7-12(14,15)16)17-18(8)10-5-3-2-4-9(10)13/h2-6H,7H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-5-methyl-3-(2,2,2-trifluoroethoxy)pyrazole?
1-(2-fluorophenyl)-5-methyl-3-(2,2,2-trifluoroethoxy)pyrazole has a molecular weight of 274.22 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-5-methyl-3-(2,2,2-trifluoroethoxy)pyrazole is sourced from PubChem (CID 71228462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).