N-hydroxy-2-(4-nitropyrazol-1-yl)acetamide

C5H6N4O4 — CID 131036166

IUPACN-hydroxy-2-(4-nitropyrazol-1-yl)acetamide
SMILESO=C(Cn1cc([N+](=O)[O-])cn1)NO
InChIInChI=1S/C5H6N4O4/c10-5(7-11)3-8-2-4(1-6-8)9(12)13/h1-2,11H,3H2,(H,7,10)
InChIKeyYOVGBGVGIQWSMA-UHFFFAOYSA-N
MW186.13 g/mol
LogP-0.70
Rot. Bonds3

About N-hydroxy-2-(4-nitropyrazol-1-yl)acetamide

N-hydroxy-2-(4-nitropyrazol-1-yl)acetamide (PubChem CID 131036166) has the molecular formula C5H6N4O4 and a molecular weight of 186.13 g/mol. Its IUPAC name is N-hydroxy-2-(4-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-hydroxy-2-(4-nitropyrazol-1-yl)acetamide
PubChem CID131036166
Molecular FormulaC5H6N4O4
Molecular Weight186.13 g/mol
Exact Mass186.04
IUPAC NameN-hydroxy-2-(4-nitropyrazol-1-yl)acetamide
SMILESO=C(Cn1cc([N+](=O)[O-])cn1)NO
InChIInChI=1S/C5H6N4O4/c10-5(7-11)3-8-2-4(1-6-8)9(12)13/h1-2,11H,3H2,(H,7,10)
InChIKeyYOVGBGVGIQWSMA-UHFFFAOYSA-N
XLogP-0.70
TPSA110.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.13
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]acetamide
CID 60733166
N-(2,6-dibromo-4-nitrophenyl)-2-(4-nitropyrazol-1-yl)acetamide
CID 19515910
N-butyl-2-(4-nitropyrazol-1-yl)acetamide
CID 4599533
diethyl-[2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]ethyl]azanium
CID 7343395
N-benzyl-2-(4-nitropyrazol-1-yl)acetamide
CID 2983141
(2R)-2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]propanoic acid
CID 54990888
N-[(2-methylpropan-2-yl)oxy]-2-(4-nitropyrazol-1-yl)acetamide
CID 82726511
N-hexyl-2-(4-nitropyrazol-1-yl)acetamide
CID 17088517
N-(4-methylphenyl)-2-(4-nitropyrazol-1-yl)acetamide
CID 19579263
3-hydroxy-2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]propanoic acid
CID 43357618
N-(2-hydroxy-2-methylbutyl)-2-(4-nitropyrazol-1-yl)acetamide
CID 65110193
2-(4-chloropyrazol-1-yl)-N-[2-(4-nitropyrazol-1-yl)ethyl]acetamide
CID 19281846

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-(4-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-hydroxy-2-(4-nitropyrazol-1-yl)acetamide (CID 131036166) is N-hydroxy-2-(4-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-hydroxy-2-(4-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-hydroxy-2-(4-nitropyrazol-1-yl)acetamide is O=C(Cn1cc([N+](=O)[O-])cn1)NO.
What is the InChIKey of N-hydroxy-2-(4-nitropyrazol-1-yl)acetamide?
The InChIKey is YOVGBGVGIQWSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O4/c10-5(7-11)3-8-2-4(1-6-8)9(12)13/h1-2,11H,3H2,(H,7,10).
What are the key properties of N-hydroxy-2-(4-nitropyrazol-1-yl)acetamide?
N-hydroxy-2-(4-nitropyrazol-1-yl)acetamide has a molecular weight of 186.13 g/mol, XLogP of -0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(4-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 131036166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).