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

C12H10F4N2O2 — CID 166098982

IUPAC5-fluoro-3-methoxy-1-(4-methoxyphenyl)-4-(trifluoromethyl)pyrazole
SMILESCOc1ccc(-n2nc(OC)c(C(F)(F)F)c2F)cc1
InChIInChI=1S/C12H10F4N2O2/c1-19-8-5-3-7(4-6-8)18-10(13)9(12(14,15)16)11(17-18)20-2/h3-6H,1-2H3
InChIKeyLBZJOMPAJDORTN-UHFFFAOYSA-N
MW290.22 g/mol
LogP3.05
Rot. Bonds3

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

5-fluoro-3-methoxy-1-(4-methoxyphenyl)-4-(trifluoromethyl)pyrazole (PubChem CID 166098982) has the molecular formula C12H10F4N2O2 and a molecular weight of 290.22 g/mol. Its IUPAC name is 5-fluoro-3-methoxy-1-(4-methoxyphenyl)-4-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-fluoro-3-methoxy-1-(4-methoxyphenyl)-4-(trifluoromethyl)pyrazole
PubChem CID166098982
Molecular FormulaC12H10F4N2O2
Molecular Weight290.22 g/mol
Exact Mass290.07
IUPAC Name5-fluoro-3-methoxy-1-(4-methoxyphenyl)-4-(trifluoromethyl)pyrazole
SMILESCOc1ccc(-n2nc(OC)c(C(F)(F)F)c2F)cc1
InChIInChI=1S/C12H10F4N2O2/c1-19-8-5-3-7(4-6-8)18-10(13)9(12(14,15)16)11(17-18)20-2/h3-6H,1-2H3
InChIKeyLBZJOMPAJDORTN-UHFFFAOYSA-N
XLogP3.05
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.22
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-fluoro-3-methoxy-1-(4-methoxyphenyl)-4-(trifluoromethyl)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 5-fluoro-3-methoxy-1-(4-methoxyphenyl)-4-(trifluoromethyl)pyrazole?
The IUPAC name of 5-fluoro-3-methoxy-1-(4-methoxyphenyl)-4-(trifluoromethyl)pyrazole (CID 166098982) is 5-fluoro-3-methoxy-1-(4-methoxyphenyl)-4-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-fluoro-3-methoxy-1-(4-methoxyphenyl)-4-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-fluoro-3-methoxy-1-(4-methoxyphenyl)-4-(trifluoromethyl)pyrazole is COc1ccc(-n2nc(OC)c(C(F)(F)F)c2F)cc1.
What is the InChIKey of 5-fluoro-3-methoxy-1-(4-methoxyphenyl)-4-(trifluoromethyl)pyrazole?
The InChIKey is LBZJOMPAJDORTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F4N2O2/c1-19-8-5-3-7(4-6-8)18-10(13)9(12(14,15)16)11(17-18)20-2/h3-6H,1-2H3.
What are the key properties of 5-fluoro-3-methoxy-1-(4-methoxyphenyl)-4-(trifluoromethyl)pyrazole?
5-fluoro-3-methoxy-1-(4-methoxyphenyl)-4-(trifluoromethyl)pyrazole has a molecular weight of 290.22 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methoxy-1-(4-methoxyphenyl)-4-(trifluoromethyl)pyrazole is sourced from PubChem (CID 166098982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).