N-(2-hydroxy-3-methylbutyl)-2-(3-nitropyrazol-1-yl)acetamide

C10H16N4O4 — CID 115744501

IUPACN-(2-hydroxy-3-methylbutyl)-2-(3-nitropyrazol-1-yl)acetamide
SMILESCC(C)C(O)CNC(=O)Cn1ccc([N+](=O)[O-])n1
InChIInChI=1S/C10H16N4O4/c1-7(2)8(15)5-11-10(16)6-13-4-3-9(12-13)14(17)18/h3-4,7-8,15H,5-6H2,1-2H3,(H,11,16)
InChIKeyNZBCFHZYFLFZAK-UHFFFAOYSA-N
MW256.26 g/mol
LogP-0.08
Rot. Bonds6

About N-(2-hydroxy-3-methylbutyl)-2-(3-nitropyrazol-1-yl)acetamide

N-(2-hydroxy-3-methylbutyl)-2-(3-nitropyrazol-1-yl)acetamide (PubChem CID 115744501) has the molecular formula C10H16N4O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is N-(2-hydroxy-3-methylbutyl)-2-(3-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methylbutyl)-2-(3-nitropyrazol-1-yl)acetamide
PubChem CID115744501
Molecular FormulaC10H16N4O4
Molecular Weight256.26 g/mol
Exact Mass256.12
IUPAC NameN-(2-hydroxy-3-methylbutyl)-2-(3-nitropyrazol-1-yl)acetamide
SMILESCC(C)C(O)CNC(=O)Cn1ccc([N+](=O)[O-])n1
InChIInChI=1S/C10H16N4O4/c1-7(2)8(15)5-11-10(16)6-13-4-3-9(12-13)14(17)18/h3-4,7-8,15H,5-6H2,1-2H3,(H,11,16)
InChIKeyNZBCFHZYFLFZAK-UHFFFAOYSA-N
XLogP-0.08
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 ≤ 5-0.08
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-hydroxy-3-methylbutyl)-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

N-[(2R)-2-(ethylamino)propyl]-2-(3-nitropyrazol-1-yl)acetamide;hydrochloride
CID 120652830
N-(3-aminobutyl)-2-(3-nitropyrazol-1-yl)acetamide;hydrochloride
CID 119495111
N-(2-ethyl-2-hydroxybutyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 65114080
2-methyl-3-[[2-(3-nitropyrazol-1-yl)acetyl]amino]butanoic acid
CID 113415838
N-[(2-methylpyrazol-3-yl)methyl]-2-(3-nitropyrazol-1-yl)acetamide
CID 19521589
N-benzyl-2-(3-nitropyrazol-1-yl)acetamide
CID 841686
N-(3-methoxypropyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 19521736
N-[3-(dimethylamino)propyl]-2-(3-nitropyrazol-1-yl)acetamide
CID 19521579
ethyl 2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]propanoate
CID 47415830
N-[2-(2-methylprop-2-enoxy)ethyl]-2-(3-nitropyrazol-1-yl)acetamide
CID 115700396
(2R)-4-methyl-2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pentanoic acid
CID 78986511
3-hydroxy-3-methyl-4-[[2-(3-nitropyrazol-1-yl)acetyl]amino]butanoic acid
CID 66003089

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methylbutyl)-2-(3-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-(2-hydroxy-3-methylbutyl)-2-(3-nitropyrazol-1-yl)acetamide (CID 115744501) is N-(2-hydroxy-3-methylbutyl)-2-(3-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-(2-hydroxy-3-methylbutyl)-2-(3-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-(2-hydroxy-3-methylbutyl)-2-(3-nitropyrazol-1-yl)acetamide is CC(C)C(O)CNC(=O)Cn1ccc([N+](=O)[O-])n1.
What is the InChIKey of N-(2-hydroxy-3-methylbutyl)-2-(3-nitropyrazol-1-yl)acetamide?
The InChIKey is NZBCFHZYFLFZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4/c1-7(2)8(15)5-11-10(16)6-13-4-3-9(12-13)14(17)18/h3-4,7-8,15H,5-6H2,1-2H3,(H,11,16).
What are the key properties of N-(2-hydroxy-3-methylbutyl)-2-(3-nitropyrazol-1-yl)acetamide?
N-(2-hydroxy-3-methylbutyl)-2-(3-nitropyrazol-1-yl)acetamide has a molecular weight of 256.26 g/mol, XLogP of -0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-methylbutyl)-2-(3-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 115744501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).