3-[4-(4-fluorophenoxy)phenyl]-1-methylpyrazole

C16H13FN2O — CID 11242617

IUPAC3-[4-(4-fluorophenoxy)phenyl]-1-methylpyrazole
SMILESCn1ccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C16H13FN2O/c1-19-11-10-16(18-19)12-2-6-14(7-3-12)20-15-8-4-13(17)5-9-15/h2-11H,1H3
InChIKeyOCRZPEWVUQBGSG-UHFFFAOYSA-N
MW268.29 g/mol
LogP4.02
Rot. Bonds3

About 3-[4-(4-fluorophenoxy)phenyl]-1-methylpyrazole

3-[4-(4-fluorophenoxy)phenyl]-1-methylpyrazole (PubChem CID 11242617) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is 3-[4-(4-fluorophenoxy)phenyl]-1-methylpyrazole.

Molecular Properties

Compound Name3-[4-(4-fluorophenoxy)phenyl]-1-methylpyrazole
PubChem CID11242617
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC Name3-[4-(4-fluorophenoxy)phenyl]-1-methylpyrazole
SMILESCn1ccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C16H13FN2O/c1-19-11-10-16(18-19)12-2-6-14(7-3-12)20-15-8-4-13(17)5-9-15/h2-11H,1H3
InChIKeyOCRZPEWVUQBGSG-UHFFFAOYSA-N
XLogP4.02
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenoxy)phenyl]-1-methylpyrazole?
The IUPAC name of 3-[4-(4-fluorophenoxy)phenyl]-1-methylpyrazole (CID 11242617) is 3-[4-(4-fluorophenoxy)phenyl]-1-methylpyrazole.
What is the SMILES notation for 3-[4-(4-fluorophenoxy)phenyl]-1-methylpyrazole?
The canonical SMILES for 3-[4-(4-fluorophenoxy)phenyl]-1-methylpyrazole is Cn1ccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1.
What is the InChIKey of 3-[4-(4-fluorophenoxy)phenyl]-1-methylpyrazole?
The InChIKey is OCRZPEWVUQBGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O/c1-19-11-10-16(18-19)12-2-6-14(7-3-12)20-15-8-4-13(17)5-9-15/h2-11H,1H3.
What are the key properties of 3-[4-(4-fluorophenoxy)phenyl]-1-methylpyrazole?
3-[4-(4-fluorophenoxy)phenyl]-1-methylpyrazole has a molecular weight of 268.29 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenoxy)phenyl]-1-methylpyrazole is sourced from PubChem (CID 11242617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).