1-benzyl-5-(4-fluorophenyl)-3-methylpyrazole

C17H15FN2 — CID 59281596

IUPAC1-benzyl-5-(4-fluorophenyl)-3-methylpyrazole
SMILESCc1cc(-c2ccc(F)cc2)n(Cc2ccccc2)n1
InChIInChI=1S/C17H15FN2/c1-13-11-17(15-7-9-16(18)10-8-15)20(19-13)12-14-5-3-2-4-6-14/h2-11H,12H2,1H3
InChIKeyLLSIVDFGXFQPMU-UHFFFAOYSA-N
MW266.32 g/mol
LogP4.05
Rot. Bonds3

About 1-benzyl-5-(4-fluorophenyl)-3-methylpyrazole

1-benzyl-5-(4-fluorophenyl)-3-methylpyrazole (PubChem CID 59281596) has the molecular formula C17H15FN2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 1-benzyl-5-(4-fluorophenyl)-3-methylpyrazole.

Molecular Properties

Compound Name1-benzyl-5-(4-fluorophenyl)-3-methylpyrazole
PubChem CID59281596
Molecular FormulaC17H15FN2
Molecular Weight266.32 g/mol
Exact Mass266.12
IUPAC Name1-benzyl-5-(4-fluorophenyl)-3-methylpyrazole
SMILESCc1cc(-c2ccc(F)cc2)n(Cc2ccccc2)n1
InChIInChI=1S/C17H15FN2/c1-13-11-17(15-7-9-16(18)10-8-15)20(19-13)12-14-5-3-2-4-6-14/h2-11H,12H2,1H3
InChIKeyLLSIVDFGXFQPMU-UHFFFAOYSA-N
XLogP4.05
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(4-fluorophenyl)-3-methylpyrazole?
The IUPAC name of 1-benzyl-5-(4-fluorophenyl)-3-methylpyrazole (CID 59281596) is 1-benzyl-5-(4-fluorophenyl)-3-methylpyrazole.
What is the SMILES notation for 1-benzyl-5-(4-fluorophenyl)-3-methylpyrazole?
The canonical SMILES for 1-benzyl-5-(4-fluorophenyl)-3-methylpyrazole is Cc1cc(-c2ccc(F)cc2)n(Cc2ccccc2)n1.
What is the InChIKey of 1-benzyl-5-(4-fluorophenyl)-3-methylpyrazole?
The InChIKey is LLSIVDFGXFQPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2/c1-13-11-17(15-7-9-16(18)10-8-15)20(19-13)12-14-5-3-2-4-6-14/h2-11H,12H2,1H3.
What are the key properties of 1-benzyl-5-(4-fluorophenyl)-3-methylpyrazole?
1-benzyl-5-(4-fluorophenyl)-3-methylpyrazole has a molecular weight of 266.32 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(4-fluorophenyl)-3-methylpyrazole is sourced from PubChem (CID 59281596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).