N-benzyl-2-(3-nitropyrazol-1-yl)acetamide

C12H12N4O3 — CID 841686

IUPACN-benzyl-2-(3-nitropyrazol-1-yl)acetamide
SMILESO=C(Cn1ccc([N+](=O)[O-])n1)NCc1ccccc1
InChIInChI=1S/C12H12N4O3/c17-12(13-8-10-4-2-1-3-5-10)9-15-7-6-11(14-15)16(18)19/h1-7H,8-9H2,(H,13,17)
InChIKeyGAACHUDXWMCHMU-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.11
Rot. Bonds5

About N-benzyl-2-(3-nitropyrazol-1-yl)acetamide

N-benzyl-2-(3-nitropyrazol-1-yl)acetamide (PubChem CID 841686) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is N-benzyl-2-(3-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(3-nitropyrazol-1-yl)acetamide
PubChem CID841686
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC NameN-benzyl-2-(3-nitropyrazol-1-yl)acetamide
SMILESO=C(Cn1ccc([N+](=O)[O-])n1)NCc1ccccc1
InChIInChI=1S/C12H12N4O3/c17-12(13-8-10-4-2-1-3-5-10)9-15-7-6-11(14-15)16(18)19/h1-7H,8-9H2,(H,13,17)
InChIKeyGAACHUDXWMCHMU-UHFFFAOYSA-N
XLogP1.11
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-benzyl-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
CID 749081
N-benzyl-2-(4-nitropyrazol-1-yl)acetamide
CID 2983141
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
N-[2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]ethyl]-1H-indazole-3-carboxamide
CID 99334516
N-(3-aminobutyl)-2-(3-nitropyrazol-1-yl)acetamide;hydrochloride
CID 119495111
N-(2-iodophenyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 47239868
N-(2-hydroxy-3-methylbutyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 115744501
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-(3-methoxypropyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 19521736
N-[3-(dimethylamino)propyl]-2-(3-nitropyrazol-1-yl)acetamide
CID 19521579

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-benzyl-2-(3-nitropyrazol-1-yl)acetamide (CID 841686) is N-benzyl-2-(3-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(3-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-benzyl-2-(3-nitropyrazol-1-yl)acetamide is O=C(Cn1ccc([N+](=O)[O-])n1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(3-nitropyrazol-1-yl)acetamide?
The InChIKey is GAACHUDXWMCHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c17-12(13-8-10-4-2-1-3-5-10)9-15-7-6-11(14-15)16(18)19/h1-7H,8-9H2,(H,13,17).
What are the key properties of N-benzyl-2-(3-nitropyrazol-1-yl)acetamide?
N-benzyl-2-(3-nitropyrazol-1-yl)acetamide has a molecular weight of 260.25 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 841686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).