2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]acetamide

C7H9N5O4 — CID 60733166

IUPAC2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]acetamide
SMILESNC(=O)CNC(=O)Cn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C7H9N5O4/c8-6(13)2-9-7(14)4-11-3-5(1-10-11)12(15)16/h1,3H,2,4H2,(H2,8,13)(H,9,14)
InChIKeyMXPDWPLGLQUOHX-UHFFFAOYSA-N
MW227.18 g/mol
LogP-1.61
Rot. Bonds5

About 2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]acetamide

2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]acetamide (PubChem CID 60733166) has the molecular formula C7H9N5O4 and a molecular weight of 227.18 g/mol. Its IUPAC name is 2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]acetamide.

Molecular Properties

Compound Name2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]acetamide
PubChem CID60733166
Molecular FormulaC7H9N5O4
Molecular Weight227.18 g/mol
Exact Mass227.07
IUPAC Name2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]acetamide
SMILESNC(=O)CNC(=O)Cn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C7H9N5O4/c8-6(13)2-9-7(14)4-11-3-5(1-10-11)12(15)16/h1,3H,2,4H2,(H2,8,13)(H,9,14)
InChIKeyMXPDWPLGLQUOHX-UHFFFAOYSA-N
XLogP-1.61
TPSA133.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 5-1.61
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

N-hydroxy-2-(4-nitropyrazol-1-yl)acetamide
CID 131036166
N-butyl-2-(4-nitropyrazol-1-yl)acetamide
CID 4599533
N-benzyl-2-(4-nitropyrazol-1-yl)acetamide
CID 2983141
N-[(2-methylpropan-2-yl)oxy]-2-(4-nitropyrazol-1-yl)acetamide
CID 82726511
N-(3-aminobutyl)-2-(4-nitropyrazol-1-yl)acetamide;hydrochloride
CID 119496278
N-hexyl-2-(4-nitropyrazol-1-yl)acetamide
CID 17088517
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
N-[2-(methylamino)propyl]-2-(4-nitropyrazol-1-yl)acetamide;hydrochloride
CID 120829486
diethyl-[2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]ethyl]azanium
CID 7343395
(2R)-2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]propanoic acid
CID 54990888
N-methyl-2-[(4-nitropyrazol-1-yl)methyl]prop-2-en-1-amine
CID 103071513

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]acetamide?
The IUPAC name of 2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]acetamide (CID 60733166) is 2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]acetamide.
What is the SMILES notation for 2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]acetamide?
The canonical SMILES for 2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]acetamide is NC(=O)CNC(=O)Cn1cc([N+](=O)[O-])cn1.
What is the InChIKey of 2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]acetamide?
The InChIKey is MXPDWPLGLQUOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O4/c8-6(13)2-9-7(14)4-11-3-5(1-10-11)12(15)16/h1,3H,2,4H2,(H2,8,13)(H,9,14).
What are the key properties of 2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]acetamide?
2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]acetamide has a molecular weight of 227.18 g/mol, XLogP of -1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]acetamide is sourced from PubChem (CID 60733166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).