4-bromo-5-(4-fluorophenyl)-3-methyl-1-pentylpyrazole

C15H18BrFN2 — CID 59281479

IUPAC4-bromo-5-(4-fluorophenyl)-3-methyl-1-pentylpyrazole
SMILESCCCCCn1nc(C)c(Br)c1-c1ccc(F)cc1
InChIInChI=1S/C15H18BrFN2/c1-3-4-5-10-19-15(14(16)11(2)18-19)12-6-8-13(17)9-7-12/h6-9H,3-5,10H2,1-2H3
InChIKeyULEGJSFVHPQXGH-UHFFFAOYSA-N
MW325.23 g/mol
LogP4.95
Rot. Bonds5

About 4-bromo-5-(4-fluorophenyl)-3-methyl-1-pentylpyrazole

4-bromo-5-(4-fluorophenyl)-3-methyl-1-pentylpyrazole (PubChem CID 59281479) has the molecular formula C15H18BrFN2 and a molecular weight of 325.23 g/mol. Its IUPAC name is 4-bromo-5-(4-fluorophenyl)-3-methyl-1-pentylpyrazole.

Molecular Properties

Compound Name4-bromo-5-(4-fluorophenyl)-3-methyl-1-pentylpyrazole
PubChem CID59281479
Molecular FormulaC15H18BrFN2
Molecular Weight325.23 g/mol
Exact Mass324.06
IUPAC Name4-bromo-5-(4-fluorophenyl)-3-methyl-1-pentylpyrazole
SMILESCCCCCn1nc(C)c(Br)c1-c1ccc(F)cc1
InChIInChI=1S/C15H18BrFN2/c1-3-4-5-10-19-15(14(16)11(2)18-19)12-6-8-13(17)9-7-12/h6-9H,3-5,10H2,1-2H3
InChIKeyULEGJSFVHPQXGH-UHFFFAOYSA-N
XLogP4.95
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.23
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(4-fluorophenyl)-3-methyl-1-pentylpyrazole?
The IUPAC name of 4-bromo-5-(4-fluorophenyl)-3-methyl-1-pentylpyrazole (CID 59281479) is 4-bromo-5-(4-fluorophenyl)-3-methyl-1-pentylpyrazole.
What is the SMILES notation for 4-bromo-5-(4-fluorophenyl)-3-methyl-1-pentylpyrazole?
The canonical SMILES for 4-bromo-5-(4-fluorophenyl)-3-methyl-1-pentylpyrazole is CCCCCn1nc(C)c(Br)c1-c1ccc(F)cc1.
What is the InChIKey of 4-bromo-5-(4-fluorophenyl)-3-methyl-1-pentylpyrazole?
The InChIKey is ULEGJSFVHPQXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrFN2/c1-3-4-5-10-19-15(14(16)11(2)18-19)12-6-8-13(17)9-7-12/h6-9H,3-5,10H2,1-2H3.
What are the key properties of 4-bromo-5-(4-fluorophenyl)-3-methyl-1-pentylpyrazole?
4-bromo-5-(4-fluorophenyl)-3-methyl-1-pentylpyrazole has a molecular weight of 325.23 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(4-fluorophenyl)-3-methyl-1-pentylpyrazole is sourced from PubChem (CID 59281479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).