1-(4-fluorophenyl)-3-methoxy-5-(4-methylphenyl)pyrazole

C17H15FN2O — CID 174579266

IUPAC1-(4-fluorophenyl)-3-methoxy-5-(4-methylphenyl)pyrazole
SMILESCOc1cc(-c2ccc(C)cc2)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H15FN2O/c1-12-3-5-13(6-4-12)16-11-17(21-2)19-20(16)15-9-7-14(18)8-10-15/h3-11H,1-2H3
InChIKeyDLSTZQHWHKLWSN-UHFFFAOYSA-N
MW282.32 g/mol
LogP4.00
Rot. Bonds3

About 1-(4-fluorophenyl)-3-methoxy-5-(4-methylphenyl)pyrazole

1-(4-fluorophenyl)-3-methoxy-5-(4-methylphenyl)pyrazole (PubChem CID 174579266) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-methoxy-5-(4-methylphenyl)pyrazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-methoxy-5-(4-methylphenyl)pyrazole
PubChem CID174579266
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name1-(4-fluorophenyl)-3-methoxy-5-(4-methylphenyl)pyrazole
SMILESCOc1cc(-c2ccc(C)cc2)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H15FN2O/c1-12-3-5-13(6-4-12)16-11-17(21-2)19-20(16)15-9-7-14(18)8-10-15/h3-11H,1-2H3
InChIKeyDLSTZQHWHKLWSN-UHFFFAOYSA-N
XLogP4.00
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-methoxy-5-(4-methylphenyl)pyrazole?
The IUPAC name of 1-(4-fluorophenyl)-3-methoxy-5-(4-methylphenyl)pyrazole (CID 174579266) is 1-(4-fluorophenyl)-3-methoxy-5-(4-methylphenyl)pyrazole.
What is the SMILES notation for 1-(4-fluorophenyl)-3-methoxy-5-(4-methylphenyl)pyrazole?
The canonical SMILES for 1-(4-fluorophenyl)-3-methoxy-5-(4-methylphenyl)pyrazole is COc1cc(-c2ccc(C)cc2)n(-c2ccc(F)cc2)n1.
What is the InChIKey of 1-(4-fluorophenyl)-3-methoxy-5-(4-methylphenyl)pyrazole?
The InChIKey is DLSTZQHWHKLWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c1-12-3-5-13(6-4-12)16-11-17(21-2)19-20(16)15-9-7-14(18)8-10-15/h3-11H,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-3-methoxy-5-(4-methylphenyl)pyrazole?
1-(4-fluorophenyl)-3-methoxy-5-(4-methylphenyl)pyrazole has a molecular weight of 282.32 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-methoxy-5-(4-methylphenyl)pyrazole is sourced from PubChem (CID 174579266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).