5-[3-[2-(4-fluoro-2-methylphenoxy)ethoxy]phenyl]-1-methylpyrazole

C19H19FN2O2 — CID 138471374

IUPAC5-[3-[2-(4-fluoro-2-methylphenoxy)ethoxy]phenyl]-1-methylpyrazole
SMILESCc1cc(F)ccc1OCCOc1cccc(-c2ccnn2C)c1
InChIInChI=1S/C19H19FN2O2/c1-14-12-16(20)6-7-19(14)24-11-10-23-17-5-3-4-15(13-17)18-8-9-21-22(18)2/h3-9,12-13H,10-11H2,1-2H3
InChIKeyDQNRNDKMOOFZCB-UHFFFAOYSA-N
MW326.37 g/mol
LogP3.99
Rot. Bonds6

About 5-[3-[2-(4-fluoro-2-methylphenoxy)ethoxy]phenyl]-1-methylpyrazole

5-[3-[2-(4-fluoro-2-methylphenoxy)ethoxy]phenyl]-1-methylpyrazole (PubChem CID 138471374) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is 5-[3-[2-(4-fluoro-2-methylphenoxy)ethoxy]phenyl]-1-methylpyrazole.

Molecular Properties

Compound Name5-[3-[2-(4-fluoro-2-methylphenoxy)ethoxy]phenyl]-1-methylpyrazole
PubChem CID138471374
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name5-[3-[2-(4-fluoro-2-methylphenoxy)ethoxy]phenyl]-1-methylpyrazole
SMILESCc1cc(F)ccc1OCCOc1cccc(-c2ccnn2C)c1
InChIInChI=1S/C19H19FN2O2/c1-14-12-16(20)6-7-19(14)24-11-10-23-17-5-3-4-15(13-17)18-8-9-21-22(18)2/h3-9,12-13H,10-11H2,1-2H3
InChIKeyDQNRNDKMOOFZCB-UHFFFAOYSA-N
XLogP3.99
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-(4-fluoro-2-methylphenoxy)ethoxy]phenyl]-1-methylpyrazole?
The IUPAC name of 5-[3-[2-(4-fluoro-2-methylphenoxy)ethoxy]phenyl]-1-methylpyrazole (CID 138471374) is 5-[3-[2-(4-fluoro-2-methylphenoxy)ethoxy]phenyl]-1-methylpyrazole.
What is the SMILES notation for 5-[3-[2-(4-fluoro-2-methylphenoxy)ethoxy]phenyl]-1-methylpyrazole?
The canonical SMILES for 5-[3-[2-(4-fluoro-2-methylphenoxy)ethoxy]phenyl]-1-methylpyrazole is Cc1cc(F)ccc1OCCOc1cccc(-c2ccnn2C)c1.
What is the InChIKey of 5-[3-[2-(4-fluoro-2-methylphenoxy)ethoxy]phenyl]-1-methylpyrazole?
The InChIKey is DQNRNDKMOOFZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-14-12-16(20)6-7-19(14)24-11-10-23-17-5-3-4-15(13-17)18-8-9-21-22(18)2/h3-9,12-13H,10-11H2,1-2H3.
What are the key properties of 5-[3-[2-(4-fluoro-2-methylphenoxy)ethoxy]phenyl]-1-methylpyrazole?
5-[3-[2-(4-fluoro-2-methylphenoxy)ethoxy]phenyl]-1-methylpyrazole has a molecular weight of 326.37 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2-(4-fluoro-2-methylphenoxy)ethoxy]phenyl]-1-methylpyrazole is sourced from PubChem (CID 138471374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).