1-[4-bromo-5-(4-fluorophenyl)-3-methylpyrazol-1-yl]pentan-3-ol

C15H18BrFN2O — CID 59281490

IUPAC1-[4-bromo-5-(4-fluorophenyl)-3-methylpyrazol-1-yl]pentan-3-ol
SMILESCCC(O)CCn1nc(C)c(Br)c1-c1ccc(F)cc1
InChIInChI=1S/C15H18BrFN2O/c1-3-13(20)8-9-19-15(14(16)10(2)18-19)11-4-6-12(17)7-5-11/h4-7,13,20H,3,8-9H2,1-2H3
InChIKeyUFAYLJOGILSWDE-UHFFFAOYSA-N
MW341.22 g/mol
LogP3.92
Rot. Bonds5

About 1-[4-bromo-5-(4-fluorophenyl)-3-methylpyrazol-1-yl]pentan-3-ol

1-[4-bromo-5-(4-fluorophenyl)-3-methylpyrazol-1-yl]pentan-3-ol (PubChem CID 59281490) has the molecular formula C15H18BrFN2O and a molecular weight of 341.22 g/mol. Its IUPAC name is 1-[4-bromo-5-(4-fluorophenyl)-3-methylpyrazol-1-yl]pentan-3-ol.

Molecular Properties

Compound Name1-[4-bromo-5-(4-fluorophenyl)-3-methylpyrazol-1-yl]pentan-3-ol
PubChem CID59281490
Molecular FormulaC15H18BrFN2O
Molecular Weight341.22 g/mol
Exact Mass340.06
IUPAC Name1-[4-bromo-5-(4-fluorophenyl)-3-methylpyrazol-1-yl]pentan-3-ol
SMILESCCC(O)CCn1nc(C)c(Br)c1-c1ccc(F)cc1
InChIInChI=1S/C15H18BrFN2O/c1-3-13(20)8-9-19-15(14(16)10(2)18-19)11-4-6-12(17)7-5-11/h4-7,13,20H,3,8-9H2,1-2H3
InChIKeyUFAYLJOGILSWDE-UHFFFAOYSA-N
XLogP3.92
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.22
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-5-(4-fluorophenyl)-3-methylpyrazol-1-yl]pentan-3-ol?
The IUPAC name of 1-[4-bromo-5-(4-fluorophenyl)-3-methylpyrazol-1-yl]pentan-3-ol (CID 59281490) is 1-[4-bromo-5-(4-fluorophenyl)-3-methylpyrazol-1-yl]pentan-3-ol.
What is the SMILES notation for 1-[4-bromo-5-(4-fluorophenyl)-3-methylpyrazol-1-yl]pentan-3-ol?
The canonical SMILES for 1-[4-bromo-5-(4-fluorophenyl)-3-methylpyrazol-1-yl]pentan-3-ol is CCC(O)CCn1nc(C)c(Br)c1-c1ccc(F)cc1.
What is the InChIKey of 1-[4-bromo-5-(4-fluorophenyl)-3-methylpyrazol-1-yl]pentan-3-ol?
The InChIKey is UFAYLJOGILSWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrFN2O/c1-3-13(20)8-9-19-15(14(16)10(2)18-19)11-4-6-12(17)7-5-11/h4-7,13,20H,3,8-9H2,1-2H3.
What are the key properties of 1-[4-bromo-5-(4-fluorophenyl)-3-methylpyrazol-1-yl]pentan-3-ol?
1-[4-bromo-5-(4-fluorophenyl)-3-methylpyrazol-1-yl]pentan-3-ol has a molecular weight of 341.22 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-5-(4-fluorophenyl)-3-methylpyrazol-1-yl]pentan-3-ol is sourced from PubChem (CID 59281490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).