N-[(2-methylpropan-2-yl)oxy]-2-(4-nitropyrazol-1-yl)acetamide

C9H14N4O4 — CID 82726511

IUPACN-[(2-methylpropan-2-yl)oxy]-2-(4-nitropyrazol-1-yl)acetamide
SMILESCC(C)(C)ONC(=O)Cn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C9H14N4O4/c1-9(2,3)17-11-8(14)6-12-5-7(4-10-12)13(15)16/h4-5H,6H2,1-3H3,(H,11,14)
InChIKeyAPPBSDORFGCVHT-UHFFFAOYSA-N
MW242.23 g/mol
LogP0.64
Rot. Bonds4

About N-[(2-methylpropan-2-yl)oxy]-2-(4-nitropyrazol-1-yl)acetamide

N-[(2-methylpropan-2-yl)oxy]-2-(4-nitropyrazol-1-yl)acetamide (PubChem CID 82726511) has the molecular formula C9H14N4O4 and a molecular weight of 242.23 g/mol. Its IUPAC name is N-[(2-methylpropan-2-yl)oxy]-2-(4-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2-methylpropan-2-yl)oxy]-2-(4-nitropyrazol-1-yl)acetamide
PubChem CID82726511
Molecular FormulaC9H14N4O4
Molecular Weight242.23 g/mol
Exact Mass242.10
IUPAC NameN-[(2-methylpropan-2-yl)oxy]-2-(4-nitropyrazol-1-yl)acetamide
SMILESCC(C)(C)ONC(=O)Cn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C9H14N4O4/c1-9(2,3)17-11-8(14)6-12-5-7(4-10-12)13(15)16/h4-5H,6H2,1-3H3,(H,11,14)
InChIKeyAPPBSDORFGCVHT-UHFFFAOYSA-N
XLogP0.64
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 50.64
H-Bond Donors ≤ 51
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-(2-hydroxy-2-methylbutyl)-2-(4-nitropyrazol-1-yl)acetamide
CID 65110193
2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]acetamide
CID 60733166
methyl 3-methyl-2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]butanoate
CID 43423558
N-butyl-2-(4-nitropyrazol-1-yl)acetamide
CID 4599533
N-(5-hydroxy-2,2-dimethylpentyl)-2-(4-nitropyrazol-1-yl)acetamide
CID 103899727
1-methoxy-3-(4-nitropyrazol-1-yl)propan-2-one
CID 107507631
(2R)-2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]propanoic acid
CID 54990888
N-benzyl-2-(4-nitropyrazol-1-yl)acetamide
CID 2983141
N-(3-aminobutyl)-2-(4-nitropyrazol-1-yl)acetamide;hydrochloride
CID 119496278
N-[(2R)-1-methoxypropan-2-yl]-2-(4-nitropyrazol-1-yl)acetamide
CID 35562414
2-methyl-2-[4-[[2-(4-nitropyrazol-1-yl)acetyl]amino]pyrazol-1-yl]propanoic acid
CID 120697013

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpropan-2-yl)oxy]-2-(4-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-[(2-methylpropan-2-yl)oxy]-2-(4-nitropyrazol-1-yl)acetamide (CID 82726511) is N-[(2-methylpropan-2-yl)oxy]-2-(4-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-[(2-methylpropan-2-yl)oxy]-2-(4-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-[(2-methylpropan-2-yl)oxy]-2-(4-nitropyrazol-1-yl)acetamide is CC(C)(C)ONC(=O)Cn1cc([N+](=O)[O-])cn1.
What is the InChIKey of N-[(2-methylpropan-2-yl)oxy]-2-(4-nitropyrazol-1-yl)acetamide?
The InChIKey is APPBSDORFGCVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O4/c1-9(2,3)17-11-8(14)6-12-5-7(4-10-12)13(15)16/h4-5H,6H2,1-3H3,(H,11,14).
What are the key properties of N-[(2-methylpropan-2-yl)oxy]-2-(4-nitropyrazol-1-yl)acetamide?
N-[(2-methylpropan-2-yl)oxy]-2-(4-nitropyrazol-1-yl)acetamide has a molecular weight of 242.23 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpropan-2-yl)oxy]-2-(4-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 82726511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).