5-(4-fluorophenyl)-3-(4-methoxyphenyl)-1H-pyrazole

C16H13FN2O — CID 24828141

IUPAC5-(4-fluorophenyl)-3-(4-methoxyphenyl)-1H-pyrazole
SMILESCOc1ccc(-c2cc(-c3ccc(F)cc3)[nH]n2)cc1
InChIInChI=1S/C16H13FN2O/c1-20-14-8-4-12(5-9-14)16-10-15(18-19-16)11-2-6-13(17)7-3-11/h2-10H,1H3,(H,18,19)
InChIKeyLZTULHXQCCNOBQ-UHFFFAOYSA-N
MW268.29 g/mol
LogP3.89
Rot. Bonds3

About 5-(4-fluorophenyl)-3-(4-methoxyphenyl)-1H-pyrazole

5-(4-fluorophenyl)-3-(4-methoxyphenyl)-1H-pyrazole (PubChem CID 24828141) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-(4-methoxyphenyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-(4-methoxyphenyl)-1H-pyrazole
PubChem CID24828141
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC Name5-(4-fluorophenyl)-3-(4-methoxyphenyl)-1H-pyrazole
SMILESCOc1ccc(-c2cc(-c3ccc(F)cc3)[nH]n2)cc1
InChIInChI=1S/C16H13FN2O/c1-20-14-8-4-12(5-9-14)16-10-15(18-19-16)11-2-6-13(17)7-3-11/h2-10H,1H3,(H,18,19)
InChIKeyLZTULHXQCCNOBQ-UHFFFAOYSA-N
XLogP3.89
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(4-fluorophenyl)-3-(4-methoxyphenyl)-1H-pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-(4-methoxyphenyl)-1H-pyrazole?
The IUPAC name of 5-(4-fluorophenyl)-3-(4-methoxyphenyl)-1H-pyrazole (CID 24828141) is 5-(4-fluorophenyl)-3-(4-methoxyphenyl)-1H-pyrazole.
What is the SMILES notation for 5-(4-fluorophenyl)-3-(4-methoxyphenyl)-1H-pyrazole?
The canonical SMILES for 5-(4-fluorophenyl)-3-(4-methoxyphenyl)-1H-pyrazole is COc1ccc(-c2cc(-c3ccc(F)cc3)[nH]n2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-3-(4-methoxyphenyl)-1H-pyrazole?
The InChIKey is LZTULHXQCCNOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O/c1-20-14-8-4-12(5-9-14)16-10-15(18-19-16)11-2-6-13(17)7-3-11/h2-10H,1H3,(H,18,19).
What are the key properties of 5-(4-fluorophenyl)-3-(4-methoxyphenyl)-1H-pyrazole?
5-(4-fluorophenyl)-3-(4-methoxyphenyl)-1H-pyrazole has a molecular weight of 268.29 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-(4-methoxyphenyl)-1H-pyrazole is sourced from PubChem (CID 24828141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).