1-[4-(4-fluorophenoxy)phenyl]-5-methylpyrazole

C16H13FN2O — CID 22025363

IUPAC1-[4-(4-fluorophenoxy)phenyl]-5-methylpyrazole
SMILESCc1ccnn1-c1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C16H13FN2O/c1-12-10-11-18-19(12)14-4-8-16(9-5-14)20-15-6-2-13(17)3-7-15/h2-11H,1H3
InChIKeyQSTWMHYRTTWCEE-UHFFFAOYSA-N
MW268.29 g/mol
LogP4.11
Rot. Bonds3

About 1-[4-(4-fluorophenoxy)phenyl]-5-methylpyrazole

1-[4-(4-fluorophenoxy)phenyl]-5-methylpyrazole (PubChem CID 22025363) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is 1-[4-(4-fluorophenoxy)phenyl]-5-methylpyrazole.

Molecular Properties

Compound Name1-[4-(4-fluorophenoxy)phenyl]-5-methylpyrazole
PubChem CID22025363
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC Name1-[4-(4-fluorophenoxy)phenyl]-5-methylpyrazole
SMILESCc1ccnn1-c1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C16H13FN2O/c1-12-10-11-18-19(12)14-4-8-16(9-5-14)20-15-6-2-13(17)3-7-15/h2-11H,1H3
InChIKeyQSTWMHYRTTWCEE-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenoxy)phenyl]-5-methylpyrazole?
The IUPAC name of 1-[4-(4-fluorophenoxy)phenyl]-5-methylpyrazole (CID 22025363) is 1-[4-(4-fluorophenoxy)phenyl]-5-methylpyrazole.
What is the SMILES notation for 1-[4-(4-fluorophenoxy)phenyl]-5-methylpyrazole?
The canonical SMILES for 1-[4-(4-fluorophenoxy)phenyl]-5-methylpyrazole is Cc1ccnn1-c1ccc(Oc2ccc(F)cc2)cc1.
What is the InChIKey of 1-[4-(4-fluorophenoxy)phenyl]-5-methylpyrazole?
The InChIKey is QSTWMHYRTTWCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O/c1-12-10-11-18-19(12)14-4-8-16(9-5-14)20-15-6-2-13(17)3-7-15/h2-11H,1H3.
What are the key properties of 1-[4-(4-fluorophenoxy)phenyl]-5-methylpyrazole?
1-[4-(4-fluorophenoxy)phenyl]-5-methylpyrazole has a molecular weight of 268.29 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenoxy)phenyl]-5-methylpyrazole is sourced from PubChem (CID 22025363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).