5-(4-fluorophenyl)-1-methyl-3-(3,4,5-trimethoxyphenyl)pyrazole

C19H19FN2O3 — CID 102223050

IUPAC5-(4-fluorophenyl)-1-methyl-3-(3,4,5-trimethoxyphenyl)pyrazole
SMILESCOc1cc(-c2cc(-c3ccc(F)cc3)n(C)n2)cc(OC)c1OC
InChIInChI=1S/C19H19FN2O3/c1-22-16(12-5-7-14(20)8-6-12)11-15(21-22)13-9-17(23-2)19(25-4)18(10-13)24-3/h5-11H,1-4H3
InChIKeyLSMNUMSIOSUJHO-UHFFFAOYSA-N
MW342.37 g/mol
LogP3.92
Rot. Bonds5

About 5-(4-fluorophenyl)-1-methyl-3-(3,4,5-trimethoxyphenyl)pyrazole

5-(4-fluorophenyl)-1-methyl-3-(3,4,5-trimethoxyphenyl)pyrazole (PubChem CID 102223050) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-1-methyl-3-(3,4,5-trimethoxyphenyl)pyrazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-1-methyl-3-(3,4,5-trimethoxyphenyl)pyrazole
PubChem CID102223050
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC Name5-(4-fluorophenyl)-1-methyl-3-(3,4,5-trimethoxyphenyl)pyrazole
SMILESCOc1cc(-c2cc(-c3ccc(F)cc3)n(C)n2)cc(OC)c1OC
InChIInChI=1S/C19H19FN2O3/c1-22-16(12-5-7-14(20)8-6-12)11-15(21-22)13-9-17(23-2)19(25-4)18(10-13)24-3/h5-11H,1-4H3
InChIKeyLSMNUMSIOSUJHO-UHFFFAOYSA-N
XLogP3.92
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-1-methyl-3-(3,4,5-trimethoxyphenyl)pyrazole?
The IUPAC name of 5-(4-fluorophenyl)-1-methyl-3-(3,4,5-trimethoxyphenyl)pyrazole (CID 102223050) is 5-(4-fluorophenyl)-1-methyl-3-(3,4,5-trimethoxyphenyl)pyrazole.
What is the SMILES notation for 5-(4-fluorophenyl)-1-methyl-3-(3,4,5-trimethoxyphenyl)pyrazole?
The canonical SMILES for 5-(4-fluorophenyl)-1-methyl-3-(3,4,5-trimethoxyphenyl)pyrazole is COc1cc(-c2cc(-c3ccc(F)cc3)n(C)n2)cc(OC)c1OC.
What is the InChIKey of 5-(4-fluorophenyl)-1-methyl-3-(3,4,5-trimethoxyphenyl)pyrazole?
The InChIKey is LSMNUMSIOSUJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-22-16(12-5-7-14(20)8-6-12)11-15(21-22)13-9-17(23-2)19(25-4)18(10-13)24-3/h5-11H,1-4H3.
What are the key properties of 5-(4-fluorophenyl)-1-methyl-3-(3,4,5-trimethoxyphenyl)pyrazole?
5-(4-fluorophenyl)-1-methyl-3-(3,4,5-trimethoxyphenyl)pyrazole has a molecular weight of 342.37 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-1-methyl-3-(3,4,5-trimethoxyphenyl)pyrazole is sourced from PubChem (CID 102223050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).