5-(4-methoxy-2,5-dimethylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole

C14H15F3N2O — CID 118236482

IUPAC5-(4-methoxy-2,5-dimethylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole
SMILESCOc1cc(C)c(-c2cc(C(F)(F)F)nn2C)cc1C
InChIInChI=1S/C14H15F3N2O/c1-8-6-12(20-4)9(2)5-10(8)11-7-13(14(15,16)17)18-19(11)3/h5-7H,1-4H3
InChIKeyJWLDWTIJUYBNOD-UHFFFAOYSA-N
MW284.28 g/mol
LogP3.73
Rot. Bonds2

About 5-(4-methoxy-2,5-dimethylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole

5-(4-methoxy-2,5-dimethylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole (PubChem CID 118236482) has the molecular formula C14H15F3N2O and a molecular weight of 284.28 g/mol. Its IUPAC name is 5-(4-methoxy-2,5-dimethylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-(4-methoxy-2,5-dimethylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole
PubChem CID118236482
Molecular FormulaC14H15F3N2O
Molecular Weight284.28 g/mol
Exact Mass284.11
IUPAC Name5-(4-methoxy-2,5-dimethylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole
SMILESCOc1cc(C)c(-c2cc(C(F)(F)F)nn2C)cc1C
InChIInChI=1S/C14H15F3N2O/c1-8-6-12(20-4)9(2)5-10(8)11-7-13(14(15,16)17)18-19(11)3/h5-7H,1-4H3
InChIKeyJWLDWTIJUYBNOD-UHFFFAOYSA-N
XLogP3.73
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-2,5-dimethylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 5-(4-methoxy-2,5-dimethylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole (CID 118236482) is 5-(4-methoxy-2,5-dimethylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-(4-methoxy-2,5-dimethylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-(4-methoxy-2,5-dimethylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole is COc1cc(C)c(-c2cc(C(F)(F)F)nn2C)cc1C.
What is the InChIKey of 5-(4-methoxy-2,5-dimethylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole?
The InChIKey is JWLDWTIJUYBNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O/c1-8-6-12(20-4)9(2)5-10(8)11-7-13(14(15,16)17)18-19(11)3/h5-7H,1-4H3.
What are the key properties of 5-(4-methoxy-2,5-dimethylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole?
5-(4-methoxy-2,5-dimethylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole has a molecular weight of 284.28 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-2,5-dimethylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 118236482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).