2-(4-bromo-2-methylphenyl)-5-cyclopentyl-1H-pyrazol-3-one

C15H17BrN2O — CID 104508615

IUPAC2-(4-bromo-2-methylphenyl)-5-cyclopentyl-1H-pyrazol-3-one
SMILESCc1cc(Br)ccc1-n1[nH]c(C2CCCC2)cc1=O
InChIInChI=1S/C15H17BrN2O/c1-10-8-12(16)6-7-14(10)18-15(19)9-13(17-18)11-4-2-3-5-11/h6-9,11,17H,2-5H2,1H3
InChIKeyQOHBJKMRRDTPMG-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.89
Rot. Bonds2

About 2-(4-bromo-2-methylphenyl)-5-cyclopentyl-1H-pyrazol-3-one

2-(4-bromo-2-methylphenyl)-5-cyclopentyl-1H-pyrazol-3-one (PubChem CID 104508615) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenyl)-5-cyclopentyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenyl)-5-cyclopentyl-1H-pyrazol-3-one
PubChem CID104508615
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name2-(4-bromo-2-methylphenyl)-5-cyclopentyl-1H-pyrazol-3-one
SMILESCc1cc(Br)ccc1-n1[nH]c(C2CCCC2)cc1=O
InChIInChI=1S/C15H17BrN2O/c1-10-8-12(16)6-7-14(10)18-15(19)9-13(17-18)11-4-2-3-5-11/h6-9,11,17H,2-5H2,1H3
InChIKeyQOHBJKMRRDTPMG-UHFFFAOYSA-N
XLogP3.89
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-bromo-2-methylphenyl)-5-cyclopentyl-1H-pyrazol-3-one 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 2-(4-bromo-2-methylphenyl)-5-cyclopentyl-1H-pyrazol-3-one?
The IUPAC name of 2-(4-bromo-2-methylphenyl)-5-cyclopentyl-1H-pyrazol-3-one (CID 104508615) is 2-(4-bromo-2-methylphenyl)-5-cyclopentyl-1H-pyrazol-3-one.
What is the SMILES notation for 2-(4-bromo-2-methylphenyl)-5-cyclopentyl-1H-pyrazol-3-one?
The canonical SMILES for 2-(4-bromo-2-methylphenyl)-5-cyclopentyl-1H-pyrazol-3-one is Cc1cc(Br)ccc1-n1[nH]c(C2CCCC2)cc1=O.
What is the InChIKey of 2-(4-bromo-2-methylphenyl)-5-cyclopentyl-1H-pyrazol-3-one?
The InChIKey is QOHBJKMRRDTPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-10-8-12(16)6-7-14(10)18-15(19)9-13(17-18)11-4-2-3-5-11/h6-9,11,17H,2-5H2,1H3.
What are the key properties of 2-(4-bromo-2-methylphenyl)-5-cyclopentyl-1H-pyrazol-3-one?
2-(4-bromo-2-methylphenyl)-5-cyclopentyl-1H-pyrazol-3-one has a molecular weight of 321.22 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylphenyl)-5-cyclopentyl-1H-pyrazol-3-one is sourced from PubChem (CID 104508615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).