5-fluoro-3-methoxy-1-phenyl-4-(trifluoromethyl)pyrazole

C11H8F4N2O — CID 71015453

IUPAC5-fluoro-3-methoxy-1-phenyl-4-(trifluoromethyl)pyrazole
SMILESCOc1nn(-c2ccccc2)c(F)c1C(F)(F)F
InChIInChI=1S/C11H8F4N2O/c1-18-10-8(11(13,14)15)9(12)17(16-10)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyQQVMGRUWKXUBEW-UHFFFAOYSA-N
MW260.19 g/mol
LogP3.04
Rot. Bonds2

About 5-fluoro-3-methoxy-1-phenyl-4-(trifluoromethyl)pyrazole

5-fluoro-3-methoxy-1-phenyl-4-(trifluoromethyl)pyrazole (PubChem CID 71015453) has the molecular formula C11H8F4N2O and a molecular weight of 260.19 g/mol. Its IUPAC name is 5-fluoro-3-methoxy-1-phenyl-4-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-fluoro-3-methoxy-1-phenyl-4-(trifluoromethyl)pyrazole
PubChem CID71015453
Molecular FormulaC11H8F4N2O
Molecular Weight260.19 g/mol
Exact Mass260.06
IUPAC Name5-fluoro-3-methoxy-1-phenyl-4-(trifluoromethyl)pyrazole
SMILESCOc1nn(-c2ccccc2)c(F)c1C(F)(F)F
InChIInChI=1S/C11H8F4N2O/c1-18-10-8(11(13,14)15)9(12)17(16-10)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyQQVMGRUWKXUBEW-UHFFFAOYSA-N
XLogP3.04
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.19
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methoxy-1-phenyl-4-(trifluoromethyl)pyrazole?
The IUPAC name of 5-fluoro-3-methoxy-1-phenyl-4-(trifluoromethyl)pyrazole (CID 71015453) is 5-fluoro-3-methoxy-1-phenyl-4-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-fluoro-3-methoxy-1-phenyl-4-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-fluoro-3-methoxy-1-phenyl-4-(trifluoromethyl)pyrazole is COc1nn(-c2ccccc2)c(F)c1C(F)(F)F.
What is the InChIKey of 5-fluoro-3-methoxy-1-phenyl-4-(trifluoromethyl)pyrazole?
The InChIKey is QQVMGRUWKXUBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F4N2O/c1-18-10-8(11(13,14)15)9(12)17(16-10)7-5-3-2-4-6-7/h2-6H,1H3.
What are the key properties of 5-fluoro-3-methoxy-1-phenyl-4-(trifluoromethyl)pyrazole?
5-fluoro-3-methoxy-1-phenyl-4-(trifluoromethyl)pyrazole has a molecular weight of 260.19 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methoxy-1-phenyl-4-(trifluoromethyl)pyrazole is sourced from PubChem (CID 71015453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).