5-[1-[(3-bromophenyl)methyl]pyrazol-3-yl]-N-hydroxypentanamide

C15H18BrN3O2 — CID 118714380

IUPAC5-[1-[(3-bromophenyl)methyl]pyrazol-3-yl]-N-hydroxypentanamide
SMILESO=C(CCCCc1ccn(Cc2cccc(Br)c2)n1)NO
InChIInChI=1S/C15H18BrN3O2/c16-13-5-3-4-12(10-13)11-19-9-8-14(17-19)6-1-2-7-15(20)18-21/h3-5,8-10,21H,1-2,6-7,11H2,(H,18,20)
InChIKeyZSZAZAHKOPGBGA-UHFFFAOYSA-N
MW352.23 g/mol
LogP2.91
Rot. Bonds7

About 5-[1-[(3-bromophenyl)methyl]pyrazol-3-yl]-N-hydroxypentanamide

5-[1-[(3-bromophenyl)methyl]pyrazol-3-yl]-N-hydroxypentanamide (PubChem CID 118714380) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is 5-[1-[(3-bromophenyl)methyl]pyrazol-3-yl]-N-hydroxypentanamide.

Molecular Properties

Compound Name5-[1-[(3-bromophenyl)methyl]pyrazol-3-yl]-N-hydroxypentanamide
PubChem CID118714380
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC Name5-[1-[(3-bromophenyl)methyl]pyrazol-3-yl]-N-hydroxypentanamide
SMILESO=C(CCCCc1ccn(Cc2cccc(Br)c2)n1)NO
InChIInChI=1S/C15H18BrN3O2/c16-13-5-3-4-12(10-13)11-19-9-8-14(17-19)6-1-2-7-15(20)18-21/h3-5,8-10,21H,1-2,6-7,11H2,(H,18,20)
InChIKeyZSZAZAHKOPGBGA-UHFFFAOYSA-N
XLogP2.91
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-[1-[(3-bromophenyl)methyl]pyrazol-3-yl]-N-hydroxypentanamide 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 5-[1-[(3-bromophenyl)methyl]pyrazol-3-yl]-N-hydroxypentanamide?
The IUPAC name of 5-[1-[(3-bromophenyl)methyl]pyrazol-3-yl]-N-hydroxypentanamide (CID 118714380) is 5-[1-[(3-bromophenyl)methyl]pyrazol-3-yl]-N-hydroxypentanamide.
What is the SMILES notation for 5-[1-[(3-bromophenyl)methyl]pyrazol-3-yl]-N-hydroxypentanamide?
The canonical SMILES for 5-[1-[(3-bromophenyl)methyl]pyrazol-3-yl]-N-hydroxypentanamide is O=C(CCCCc1ccn(Cc2cccc(Br)c2)n1)NO.
What is the InChIKey of 5-[1-[(3-bromophenyl)methyl]pyrazol-3-yl]-N-hydroxypentanamide?
The InChIKey is ZSZAZAHKOPGBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c16-13-5-3-4-12(10-13)11-19-9-8-14(17-19)6-1-2-7-15(20)18-21/h3-5,8-10,21H,1-2,6-7,11H2,(H,18,20).
What are the key properties of 5-[1-[(3-bromophenyl)methyl]pyrazol-3-yl]-N-hydroxypentanamide?
5-[1-[(3-bromophenyl)methyl]pyrazol-3-yl]-N-hydroxypentanamide has a molecular weight of 352.23 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(3-bromophenyl)methyl]pyrazol-3-yl]-N-hydroxypentanamide is sourced from PubChem (CID 118714380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).