N'-hydroxy-N-[1-[(4-nitrophenyl)methyl]pyrazol-4-yl]octanediamide

C18H23N5O5 — CID 53362594

IUPACN'-hydroxy-N-[1-[(4-nitrophenyl)methyl]pyrazol-4-yl]octanediamide
SMILESO=C(CCCCCCC(=O)Nc1cnn(Cc2ccc([N+](=O)[O-])cc2)c1)NO
InChIInChI=1S/C18H23N5O5/c24-17(5-3-1-2-4-6-18(25)21-26)20-15-11-19-22(13-15)12-14-7-9-16(10-8-14)23(27)28/h7-11,13,26H,1-6,12H2,(H,20,24)(H,21,25)
InChIKeyOXRFZTKVNBHUJF-UHFFFAOYSA-N
MW389.41 g/mol
LogP2.62
Rot. Bonds11

About N'-hydroxy-N-[1-[(4-nitrophenyl)methyl]pyrazol-4-yl]octanediamide

N'-hydroxy-N-[1-[(4-nitrophenyl)methyl]pyrazol-4-yl]octanediamide (PubChem CID 53362594) has the molecular formula C18H23N5O5 and a molecular weight of 389.41 g/mol. Its IUPAC name is N'-hydroxy-N-[1-[(4-nitrophenyl)methyl]pyrazol-4-yl]octanediamide.

Molecular Properties

Compound NameN'-hydroxy-N-[1-[(4-nitrophenyl)methyl]pyrazol-4-yl]octanediamide
PubChem CID53362594
Molecular FormulaC18H23N5O5
Molecular Weight389.41 g/mol
Exact Mass389.17
IUPAC NameN'-hydroxy-N-[1-[(4-nitrophenyl)methyl]pyrazol-4-yl]octanediamide
SMILESO=C(CCCCCCC(=O)Nc1cnn(Cc2ccc([N+](=O)[O-])cc2)c1)NO
InChIInChI=1S/C18H23N5O5/c24-17(5-3-1-2-4-6-18(25)21-26)20-15-11-19-22(13-15)12-14-7-9-16(10-8-14)23(27)28/h7-11,13,26H,1-6,12H2,(H,20,24)(H,21,25)
InChIKeyOXRFZTKVNBHUJF-UHFFFAOYSA-N
XLogP2.62
TPSA139.39 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N'-hydroxy-N-[1-[(4-nitrophenyl)methyl]pyrazol-4-yl]octanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Triazole Ligand, 6a
CID 24881257
Triazole Ligand, 6b
CID 24881328
Triazole Ligand, 10a
CID 24881330
Triazole Ligand, 12b
CID 24881332
Triazole Ligand, 14a
CID 24881402
Triazole Ligand, 6c
CID 24881404
Triazole Ligand, 12a
CID 24881407
Triazole Ligand, 12c
CID 24881464
N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]-2,2-dimethylpropanamide
CID 101874839
tert-butyl N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]carbamate
CID 118723772
N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 118723775
N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]propanamide
CID 118723776

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-N-[1-[(4-nitrophenyl)methyl]pyrazol-4-yl]octanediamide?
The IUPAC name of N'-hydroxy-N-[1-[(4-nitrophenyl)methyl]pyrazol-4-yl]octanediamide (CID 53362594) is N'-hydroxy-N-[1-[(4-nitrophenyl)methyl]pyrazol-4-yl]octanediamide.
What is the SMILES notation for N'-hydroxy-N-[1-[(4-nitrophenyl)methyl]pyrazol-4-yl]octanediamide?
The canonical SMILES for N'-hydroxy-N-[1-[(4-nitrophenyl)methyl]pyrazol-4-yl]octanediamide is O=C(CCCCCCC(=O)Nc1cnn(Cc2ccc([N+](=O)[O-])cc2)c1)NO.
What is the InChIKey of N'-hydroxy-N-[1-[(4-nitrophenyl)methyl]pyrazol-4-yl]octanediamide?
The InChIKey is OXRFZTKVNBHUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O5/c24-17(5-3-1-2-4-6-18(25)21-26)20-15-11-19-22(13-15)12-14-7-9-16(10-8-14)23(27)28/h7-11,13,26H,1-6,12H2,(H,20,24)(H,21,25).
What are the key properties of N'-hydroxy-N-[1-[(4-nitrophenyl)methyl]pyrazol-4-yl]octanediamide?
N'-hydroxy-N-[1-[(4-nitrophenyl)methyl]pyrazol-4-yl]octanediamide has a molecular weight of 389.41 g/mol, XLogP of 2.62, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-N-[1-[(4-nitrophenyl)methyl]pyrazol-4-yl]octanediamide is sourced from PubChem (CID 53362594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).