N-benzyl-2-(4-nitropyrazol-1-yl)acetamide

C12H12N4O3 — CID 2983141

IUPACN-benzyl-2-(4-nitropyrazol-1-yl)acetamide
SMILESO=C(Cn1cc([N+](=O)[O-])cn1)NCc1ccccc1
InChIInChI=1S/C12H12N4O3/c17-12(13-6-10-4-2-1-3-5-10)9-15-8-11(7-14-15)16(18)19/h1-5,7-8H,6,9H2,(H,13,17)
InChIKeyRUIFSNLJFQVWPT-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.11
Rot. Bonds5

About N-benzyl-2-(4-nitropyrazol-1-yl)acetamide

N-benzyl-2-(4-nitropyrazol-1-yl)acetamide (PubChem CID 2983141) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is N-benzyl-2-(4-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-nitropyrazol-1-yl)acetamide
PubChem CID2983141
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC NameN-benzyl-2-(4-nitropyrazol-1-yl)acetamide
SMILESO=C(Cn1cc([N+](=O)[O-])cn1)NCc1ccccc1
InChIInChI=1S/C12H12N4O3/c17-12(13-6-10-4-2-1-3-5-10)9-15-8-11(7-14-15)16(18)19/h1-5,7-8H,6,9H2,(H,13,17)
InChIKeyRUIFSNLJFQVWPT-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-hydroxy-2-(4-nitropyrazol-1-yl)acetamide
CID 131036166
2-(4-nitropyrazol-1-yl)-N-[2-[(2-phenoxyacetyl)amino]ethyl]acetamide
CID 33268337
N-benzyl-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
CID 749081
N-benzyl-2-(3-nitropyrazol-1-yl)acetamide
CID 841686
2-(4-aminopyrazol-1-yl)-N-benzylacetamide
CID 28973852
N-benzyl-2-(4-nitropyrazol-1-yl)-N-phenylacetamide
CID 2982830
N-[(2S)-3-methyl-2-phenylbutyl]-2-(4-nitropyrazol-1-yl)acetamide
CID 35015141
2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]acetamide
CID 60733166
2-[4-(aminomethyl)pyrazol-1-yl]-N-benzylacetamide
CID 63253915
N-butyl-2-(4-nitropyrazol-1-yl)acetamide
CID 4599533
6-[[2-(4-nitropyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid
CID 63642913
4-(4-nitropyrazol-1-yl)-N-[(4-pyrrol-1-ylphenyl)methyl]butanamide
CID 5306206

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-benzyl-2-(4-nitropyrazol-1-yl)acetamide (CID 2983141) is N-benzyl-2-(4-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(4-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-benzyl-2-(4-nitropyrazol-1-yl)acetamide is O=C(Cn1cc([N+](=O)[O-])cn1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(4-nitropyrazol-1-yl)acetamide?
The InChIKey is RUIFSNLJFQVWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c17-12(13-6-10-4-2-1-3-5-10)9-15-8-11(7-14-15)16(18)19/h1-5,7-8H,6,9H2,(H,13,17).
What are the key properties of N-benzyl-2-(4-nitropyrazol-1-yl)acetamide?
N-benzyl-2-(4-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-(4-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 2983141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).