1-[4-(4-fluorophenoxy)phenyl]pyrazole

C15H11FN2O — CID 22025364

IUPAC1-[4-(4-fluorophenoxy)phenyl]pyrazole
SMILESFc1ccc(Oc2ccc(-n3cccn3)cc2)cc1
InChIInChI=1S/C15H11FN2O/c16-12-2-6-14(7-3-12)19-15-8-4-13(5-9-15)18-11-1-10-17-18/h1-11H
InChIKeyCPJBFDZLAZXLAI-UHFFFAOYSA-N
MW254.26 g/mol
LogP3.80
Rot. Bonds3

About 1-[4-(4-fluorophenoxy)phenyl]pyrazole

1-[4-(4-fluorophenoxy)phenyl]pyrazole (PubChem CID 22025364) has the molecular formula C15H11FN2O and a molecular weight of 254.26 g/mol. Its IUPAC name is 1-[4-(4-fluorophenoxy)phenyl]pyrazole.

Molecular Properties

Compound Name1-[4-(4-fluorophenoxy)phenyl]pyrazole
PubChem CID22025364
Molecular FormulaC15H11FN2O
Molecular Weight254.26 g/mol
Exact Mass254.09
IUPAC Name1-[4-(4-fluorophenoxy)phenyl]pyrazole
SMILESFc1ccc(Oc2ccc(-n3cccn3)cc2)cc1
InChIInChI=1S/C15H11FN2O/c16-12-2-6-14(7-3-12)19-15-8-4-13(5-9-15)18-11-1-10-17-18/h1-11H
InChIKeyCPJBFDZLAZXLAI-UHFFFAOYSA-N
XLogP3.80
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 53.80
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]pyrazole?
The IUPAC name of 1-[4-(4-fluorophenoxy)phenyl]pyrazole (CID 22025364) is 1-[4-(4-fluorophenoxy)phenyl]pyrazole.
What is the SMILES notation for 1-[4-(4-fluorophenoxy)phenyl]pyrazole?
The canonical SMILES for 1-[4-(4-fluorophenoxy)phenyl]pyrazole is Fc1ccc(Oc2ccc(-n3cccn3)cc2)cc1.
What is the InChIKey of 1-[4-(4-fluorophenoxy)phenyl]pyrazole?
The InChIKey is CPJBFDZLAZXLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O/c16-12-2-6-14(7-3-12)19-15-8-4-13(5-9-15)18-11-1-10-17-18/h1-11H.
What are the key properties of 1-[4-(4-fluorophenoxy)phenyl]pyrazole?
1-[4-(4-fluorophenoxy)phenyl]pyrazole has a molecular weight of 254.26 g/mol, XLogP of 3.80, 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]pyrazole is sourced from PubChem (CID 22025364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).