N-(1-hydroxypentan-3-yl)-2-(3-nitropyrazol-1-yl)acetamide

C10H16N4O4 — CID 115767353

IUPACN-(1-hydroxypentan-3-yl)-2-(3-nitropyrazol-1-yl)acetamide
SMILESCCC(CCO)NC(=O)Cn1ccc([N+](=O)[O-])n1
InChIInChI=1S/C10H16N4O4/c1-2-8(4-6-15)11-10(16)7-13-5-3-9(12-13)14(17)18/h3,5,8,15H,2,4,6-7H2,1H3,(H,11,16)
InChIKeyKRUQWCYIGBSHRB-UHFFFAOYSA-N
MW256.26 g/mol
LogP0.07
Rot. Bonds7

About N-(1-hydroxypentan-3-yl)-2-(3-nitropyrazol-1-yl)acetamide

N-(1-hydroxypentan-3-yl)-2-(3-nitropyrazol-1-yl)acetamide (PubChem CID 115767353) has the molecular formula C10H16N4O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is N-(1-hydroxypentan-3-yl)-2-(3-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-hydroxypentan-3-yl)-2-(3-nitropyrazol-1-yl)acetamide
PubChem CID115767353
Molecular FormulaC10H16N4O4
Molecular Weight256.26 g/mol
Exact Mass256.12
IUPAC NameN-(1-hydroxypentan-3-yl)-2-(3-nitropyrazol-1-yl)acetamide
SMILESCCC(CCO)NC(=O)Cn1ccc([N+](=O)[O-])n1
InChIInChI=1S/C10H16N4O4/c1-2-8(4-6-15)11-10(16)7-13-5-3-9(12-13)14(17)18/h3,5,8,15H,2,4,6-7H2,1H3,(H,11,16)
InChIKeyKRUQWCYIGBSHRB-UHFFFAOYSA-N
XLogP0.07
TPSA110.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]propanoate
CID 47415830
2-methyl-3-[[2-(3-nitropyrazol-1-yl)acetyl]amino]butanoic acid
CID 113415838
2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pentanedioic acid
CID 62112095
2-(3-nitropyrazol-1-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 103725978
N-[3-(hydroxymethyl)pentan-3-yl]-2-(3-nitropyrazol-1-yl)acetamide
CID 55082351
N-(3-aminobutyl)-2-(3-nitropyrazol-1-yl)acetamide;hydrochloride
CID 119495111
(2R)-4-methyl-2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pentanoic acid
CID 78986511
N-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(3-nitropyrazol-1-yl)acetamide
CID 55849911
N-(2,6-dimethylphenyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 19521512
2-(3-nitropyrazol-1-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]acetamide
CID 55847698
N-(2-ethyl-2-hydroxybutyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 65114080
N-(2-hydroxy-3-methylbutyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 115744501

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypentan-3-yl)-2-(3-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-(1-hydroxypentan-3-yl)-2-(3-nitropyrazol-1-yl)acetamide (CID 115767353) is N-(1-hydroxypentan-3-yl)-2-(3-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-(1-hydroxypentan-3-yl)-2-(3-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-(1-hydroxypentan-3-yl)-2-(3-nitropyrazol-1-yl)acetamide is CCC(CCO)NC(=O)Cn1ccc([N+](=O)[O-])n1.
What is the InChIKey of N-(1-hydroxypentan-3-yl)-2-(3-nitropyrazol-1-yl)acetamide?
The InChIKey is KRUQWCYIGBSHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4/c1-2-8(4-6-15)11-10(16)7-13-5-3-9(12-13)14(17)18/h3,5,8,15H,2,4,6-7H2,1H3,(H,11,16).
What are the key properties of N-(1-hydroxypentan-3-yl)-2-(3-nitropyrazol-1-yl)acetamide?
N-(1-hydroxypentan-3-yl)-2-(3-nitropyrazol-1-yl)acetamide has a molecular weight of 256.26 g/mol, XLogP of 0.07, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypentan-3-yl)-2-(3-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 115767353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).