2-(4-nitropyrazol-1-yl)-N-[2-[(2-phenoxyacetyl)amino]ethyl]acetamide

C15H17N5O5 — CID 33268337

IUPAC2-(4-nitropyrazol-1-yl)-N-[2-[(2-phenoxyacetyl)amino]ethyl]acetamide
SMILESO=C(COc1ccccc1)NCCNC(=O)Cn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C15H17N5O5/c21-14(10-19-9-12(8-18-19)20(23)24)16-6-7-17-15(22)11-25-13-4-2-1-3-5-13/h1-5,8-9H,6-7,10-11H2,(H,16,21)(H,17,22)
InChIKeyKKLYTSMQZBLIOI-UHFFFAOYSA-N
MW347.33 g/mol
LogP0.10
Rot. Bonds9

About 2-(4-nitropyrazol-1-yl)-N-[2-[(2-phenoxyacetyl)amino]ethyl]acetamide

2-(4-nitropyrazol-1-yl)-N-[2-[(2-phenoxyacetyl)amino]ethyl]acetamide (PubChem CID 33268337) has the molecular formula C15H17N5O5 and a molecular weight of 347.33 g/mol. Its IUPAC name is 2-(4-nitropyrazol-1-yl)-N-[2-[(2-phenoxyacetyl)amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-nitropyrazol-1-yl)-N-[2-[(2-phenoxyacetyl)amino]ethyl]acetamide
PubChem CID33268337
Molecular FormulaC15H17N5O5
Molecular Weight347.33 g/mol
Exact Mass347.12
IUPAC Name2-(4-nitropyrazol-1-yl)-N-[2-[(2-phenoxyacetyl)amino]ethyl]acetamide
SMILESO=C(COc1ccccc1)NCCNC(=O)Cn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C15H17N5O5/c21-14(10-19-9-12(8-18-19)20(23)24)16-6-7-17-15(22)11-25-13-4-2-1-3-5-13/h1-5,8-9H,6-7,10-11H2,(H,16,21)(H,17,22)
InChIKeyKKLYTSMQZBLIOI-UHFFFAOYSA-N
XLogP0.10
TPSA128.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(4-nitropyrazol-1-yl)acetamide
CID 2983141
N-[2-[(2-phenoxyacetyl)amino]ethyl]-2-pyrazol-1-ylacetamide
CID 47029028
N-[2-(4-nitrophenyl)ethyl]-2-phenoxyacetamide
CID 19166772
N-butyl-2-(4-nitropyrazol-1-yl)acetamide
CID 4599533
N-hydroxy-2-(4-nitropyrazol-1-yl)acetamide
CID 131036166
N-(3-aminobutyl)-2-(4-nitropyrazol-1-yl)acetamide;hydrochloride
CID 119496278
N-hexyl-2-(4-nitropyrazol-1-yl)acetamide
CID 17088517
N-[(2S)-3-methyl-2-phenylbutyl]-2-(4-nitropyrazol-1-yl)acetamide
CID 35015141
2-(4-chloropyrazol-1-yl)-N-[2-(4-nitropyrazol-1-yl)ethyl]acetamide
CID 19281846
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-[(3-methyl-5-nitroimidazol-4-yl)amino]ethyl]-2-phenoxyacetamide
CID 36790213

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitropyrazol-1-yl)-N-[2-[(2-phenoxyacetyl)amino]ethyl]acetamide?
The IUPAC name of 2-(4-nitropyrazol-1-yl)-N-[2-[(2-phenoxyacetyl)amino]ethyl]acetamide (CID 33268337) is 2-(4-nitropyrazol-1-yl)-N-[2-[(2-phenoxyacetyl)amino]ethyl]acetamide.
What is the SMILES notation for 2-(4-nitropyrazol-1-yl)-N-[2-[(2-phenoxyacetyl)amino]ethyl]acetamide?
The canonical SMILES for 2-(4-nitropyrazol-1-yl)-N-[2-[(2-phenoxyacetyl)amino]ethyl]acetamide is O=C(COc1ccccc1)NCCNC(=O)Cn1cc([N+](=O)[O-])cn1.
What is the InChIKey of 2-(4-nitropyrazol-1-yl)-N-[2-[(2-phenoxyacetyl)amino]ethyl]acetamide?
The InChIKey is KKLYTSMQZBLIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O5/c21-14(10-19-9-12(8-18-19)20(23)24)16-6-7-17-15(22)11-25-13-4-2-1-3-5-13/h1-5,8-9H,6-7,10-11H2,(H,16,21)(H,17,22).
What are the key properties of 2-(4-nitropyrazol-1-yl)-N-[2-[(2-phenoxyacetyl)amino]ethyl]acetamide?
2-(4-nitropyrazol-1-yl)-N-[2-[(2-phenoxyacetyl)amino]ethyl]acetamide has a molecular weight of 347.33 g/mol, XLogP of 0.10, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitropyrazol-1-yl)-N-[2-[(2-phenoxyacetyl)amino]ethyl]acetamide is sourced from PubChem (CID 33268337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).