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

C10H16N4O4 — CID 65110193

IUPACN-(2-hydroxy-2-methylbutyl)-2-(4-nitropyrazol-1-yl)acetamide
SMILESCCC(C)(O)CNC(=O)Cn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C10H16N4O4/c1-3-10(2,16)7-11-9(15)6-13-5-8(4-12-13)14(17)18/h4-5,16H,3,6-7H2,1-2H3,(H,11,15)
InChIKeyAXWDSTBXCQMGKE-UHFFFAOYSA-N
MW256.26 g/mol
LogP0.07
Rot. Bonds6

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

N-(2-hydroxy-2-methylbutyl)-2-(4-nitropyrazol-1-yl)acetamide (PubChem CID 65110193) has the molecular formula C10H16N4O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylbutyl)-2-(4-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylbutyl)-2-(4-nitropyrazol-1-yl)acetamide
PubChem CID65110193
Molecular FormulaC10H16N4O4
Molecular Weight256.26 g/mol
Exact Mass256.12
IUPAC NameN-(2-hydroxy-2-methylbutyl)-2-(4-nitropyrazol-1-yl)acetamide
SMILESCCC(C)(O)CNC(=O)Cn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C10H16N4O4/c1-3-10(2,16)7-11-9(15)6-13-5-8(4-12-13)14(17)18/h4-5,16H,3,6-7H2,1-2H3,(H,11,15)
InChIKeyAXWDSTBXCQMGKE-UHFFFAOYSA-N
XLogP0.07
TPSA110.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
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

N-(5-hydroxy-2,2-dimethylpentyl)-2-(4-nitropyrazol-1-yl)acetamide
CID 103899727
N-butyl-2-(4-nitropyrazol-1-yl)acetamide
CID 4599533
N-[(2-methylpropan-2-yl)oxy]-2-(4-nitropyrazol-1-yl)acetamide
CID 82726511
N-hydroxy-2-(4-nitropyrazol-1-yl)acetamide
CID 131036166
N-hexyl-2-(4-nitropyrazol-1-yl)acetamide
CID 17088517
diethyl-[2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]ethyl]azanium
CID 7343395
2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]acetamide
CID 60733166
N-[2-(methylamino)propyl]-2-(4-nitropyrazol-1-yl)acetamide;hydrochloride
CID 120829486
1-methoxy-3-(4-nitropyrazol-1-yl)propan-2-one
CID 107507631
N-benzyl-2-(4-nitropyrazol-1-yl)acetamide
CID 2983141
(2R)-2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]propanoic acid
CID 54990888
N-(3-aminobutyl)-2-(4-nitropyrazol-1-yl)acetamide;hydrochloride
CID 119496278

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylbutyl)-2-(4-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-(2-hydroxy-2-methylbutyl)-2-(4-nitropyrazol-1-yl)acetamide (CID 65110193) is N-(2-hydroxy-2-methylbutyl)-2-(4-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-(2-hydroxy-2-methylbutyl)-2-(4-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-(2-hydroxy-2-methylbutyl)-2-(4-nitropyrazol-1-yl)acetamide is CCC(C)(O)CNC(=O)Cn1cc([N+](=O)[O-])cn1.
What is the InChIKey of N-(2-hydroxy-2-methylbutyl)-2-(4-nitropyrazol-1-yl)acetamide?
The InChIKey is AXWDSTBXCQMGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4/c1-3-10(2,16)7-11-9(15)6-13-5-8(4-12-13)14(17)18/h4-5,16H,3,6-7H2,1-2H3,(H,11,15).
What are the key properties of N-(2-hydroxy-2-methylbutyl)-2-(4-nitropyrazol-1-yl)acetamide?
N-(2-hydroxy-2-methylbutyl)-2-(4-nitropyrazol-1-yl)acetamide has a molecular weight of 256.26 g/mol, XLogP of 0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylbutyl)-2-(4-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 65110193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).