N-(2-ethyl-2-hydroxybutyl)-2-(3-nitropyrazol-1-yl)acetamide

C11H18N4O4 — CID 65114080

IUPACN-(2-ethyl-2-hydroxybutyl)-2-(3-nitropyrazol-1-yl)acetamide
SMILESCCC(O)(CC)CNC(=O)Cn1ccc([N+](=O)[O-])n1
InChIInChI=1S/C11H18N4O4/c1-3-11(17,4-2)8-12-10(16)7-14-6-5-9(13-14)15(18)19/h5-6,17H,3-4,7-8H2,1-2H3,(H,12,16)
InChIKeyAULRQKDNHOBTLA-UHFFFAOYSA-N
MW270.29 g/mol
LogP0.46
Rot. Bonds7

About N-(2-ethyl-2-hydroxybutyl)-2-(3-nitropyrazol-1-yl)acetamide

N-(2-ethyl-2-hydroxybutyl)-2-(3-nitropyrazol-1-yl)acetamide (PubChem CID 65114080) has the molecular formula C11H18N4O4 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxybutyl)-2-(3-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxybutyl)-2-(3-nitropyrazol-1-yl)acetamide
PubChem CID65114080
Molecular FormulaC11H18N4O4
Molecular Weight270.29 g/mol
Exact Mass270.13
IUPAC NameN-(2-ethyl-2-hydroxybutyl)-2-(3-nitropyrazol-1-yl)acetamide
SMILESCCC(O)(CC)CNC(=O)Cn1ccc([N+](=O)[O-])n1
InChIInChI=1S/C11H18N4O4/c1-3-11(17,4-2)8-12-10(16)7-14-6-5-9(13-14)15(18)19/h5-6,17H,3-4,7-8H2,1-2H3,(H,12,16)
InChIKeyAULRQKDNHOBTLA-UHFFFAOYSA-N
XLogP0.46
TPSA110.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.46
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'}

Analyze N-(2-ethyl-2-hydroxybutyl)-2-(3-nitropyrazol-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-hydroxy-3-methyl-4-[[2-(3-nitropyrazol-1-yl)acetyl]amino]butanoic acid
CID 66003089
N-[3-(hydroxymethyl)pentan-3-yl]-2-(3-nitropyrazol-1-yl)acetamide
CID 55082351
N-(2-hydroxy-3-methylbutyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 115744501
N-[(2R)-2-(ethylamino)propyl]-2-(3-nitropyrazol-1-yl)acetamide;hydrochloride
CID 120652830
N-benzyl-2-(3-nitropyrazol-1-yl)acetamide
CID 841686
1-(3-nitropyrazol-1-yl)pentan-2-one
CID 62041636
N-[3-(dimethylamino)propyl]-2-(3-nitropyrazol-1-yl)acetamide
CID 19521579
N-(3-methoxypropyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 19521736
N-(3-aminobutyl)-2-(3-nitropyrazol-1-yl)acetamide;hydrochloride
CID 119495111
5-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pentanoic acid
CID 62033038
N-[(2-methylpyrazol-3-yl)methyl]-2-(3-nitropyrazol-1-yl)acetamide
CID 19521589
ethyl 2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]propanoate
CID 47415830

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-hydroxybutyl)-2-(3-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-(2-ethyl-2-hydroxybutyl)-2-(3-nitropyrazol-1-yl)acetamide (CID 65114080) is N-(2-ethyl-2-hydroxybutyl)-2-(3-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxybutyl)-2-(3-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-(2-ethyl-2-hydroxybutyl)-2-(3-nitropyrazol-1-yl)acetamide is CCC(O)(CC)CNC(=O)Cn1ccc([N+](=O)[O-])n1.
What is the InChIKey of N-(2-ethyl-2-hydroxybutyl)-2-(3-nitropyrazol-1-yl)acetamide?
The InChIKey is AULRQKDNHOBTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4/c1-3-11(17,4-2)8-12-10(16)7-14-6-5-9(13-14)15(18)19/h5-6,17H,3-4,7-8H2,1-2H3,(H,12,16).
What are the key properties of N-(2-ethyl-2-hydroxybutyl)-2-(3-nitropyrazol-1-yl)acetamide?
N-(2-ethyl-2-hydroxybutyl)-2-(3-nitropyrazol-1-yl)acetamide has a molecular weight of 270.29 g/mol, XLogP of 0.46, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-hydroxybutyl)-2-(3-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 65114080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).