5-(1-benzyl-4-methylpyrazol-3-yl)-N-hydroxypentanamide

C16H21N3O2 — CID 118714383

IUPAC5-(1-benzyl-4-methylpyrazol-3-yl)-N-hydroxypentanamide
SMILESCc1cn(Cc2ccccc2)nc1CCCCC(=O)NO
InChIInChI=1S/C16H21N3O2/c1-13-11-19(12-14-7-3-2-4-8-14)17-15(13)9-5-6-10-16(20)18-21/h2-4,7-8,11,21H,5-6,9-10,12H2,1H3,(H,18,20)
InChIKeyGHNVQGFXEMUGAB-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.46
Rot. Bonds7

About 5-(1-benzyl-4-methylpyrazol-3-yl)-N-hydroxypentanamide

5-(1-benzyl-4-methylpyrazol-3-yl)-N-hydroxypentanamide (PubChem CID 118714383) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 5-(1-benzyl-4-methylpyrazol-3-yl)-N-hydroxypentanamide.

Molecular Properties

Compound Name5-(1-benzyl-4-methylpyrazol-3-yl)-N-hydroxypentanamide
PubChem CID118714383
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name5-(1-benzyl-4-methylpyrazol-3-yl)-N-hydroxypentanamide
SMILESCc1cn(Cc2ccccc2)nc1CCCCC(=O)NO
InChIInChI=1S/C16H21N3O2/c1-13-11-19(12-14-7-3-2-4-8-14)17-15(13)9-5-6-10-16(20)18-21/h2-4,7-8,11,21H,5-6,9-10,12H2,1H3,(H,18,20)
InChIKeyGHNVQGFXEMUGAB-UHFFFAOYSA-N
XLogP2.46
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.46
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'}

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Related Compounds

N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]-2,2-dimethylpropanamide
CID 101874839
N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]propanamide
CID 118723776
N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]-2-methyl-propanamide
CID 118723777
9-(3,4-Diphenyl-pyrazol-1-yl)-nonanoic acid
CID 10090958
(1R,2R,3R)-N-hydroxy-2-(1-methylpyrazol-4-yl)-3-phenylcyclopropane-1-carboxamide
CID 60148646
5-[1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]-N-hydroxypentanamide
CID 60150860
4-((1H-pyrazol-1-yl)methyl)-N-hydroxybenzamide
CID 60164723
5-[1-[(4-tert-butylphenyl)methyl]triazol-4-yl]-N-hydroxypentanamide
CID 71625575
5-(1-benzylpyrazol-3-yl)-N-hydroxypentanamide
CID 72195320
N-hydroxy-5-[1-[(3-phenylphenyl)methyl]pyrazol-3-yl]pentanamide
CID 72195322
N-hydroxy-7-[1-[(4-phenylphenyl)methyl]pyrazol-3-yl]heptanamide
CID 72195459
N-hydroxy-6-[1-[(4-phenylphenyl)methyl]pyrazol-3-yl]hexanamide
CID 72195460

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzyl-4-methylpyrazol-3-yl)-N-hydroxypentanamide?
The IUPAC name of 5-(1-benzyl-4-methylpyrazol-3-yl)-N-hydroxypentanamide (CID 118714383) is 5-(1-benzyl-4-methylpyrazol-3-yl)-N-hydroxypentanamide.
What is the SMILES notation for 5-(1-benzyl-4-methylpyrazol-3-yl)-N-hydroxypentanamide?
The canonical SMILES for 5-(1-benzyl-4-methylpyrazol-3-yl)-N-hydroxypentanamide is Cc1cn(Cc2ccccc2)nc1CCCCC(=O)NO.
What is the InChIKey of 5-(1-benzyl-4-methylpyrazol-3-yl)-N-hydroxypentanamide?
The InChIKey is GHNVQGFXEMUGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-13-11-19(12-14-7-3-2-4-8-14)17-15(13)9-5-6-10-16(20)18-21/h2-4,7-8,11,21H,5-6,9-10,12H2,1H3,(H,18,20).
What are the key properties of 5-(1-benzyl-4-methylpyrazol-3-yl)-N-hydroxypentanamide?
5-(1-benzyl-4-methylpyrazol-3-yl)-N-hydroxypentanamide has a molecular weight of 287.36 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzyl-4-methylpyrazol-3-yl)-N-hydroxypentanamide is sourced from PubChem (CID 118714383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).