diethyl-[2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]ethyl]azanium

C11H20N5O3+ — CID 7343395

IUPACdiethyl-[2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]ethyl]azanium
SMILESCC[NH+](CC)CCNC(=O)Cn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C11H19N5O3/c1-3-14(4-2)6-5-12-11(17)9-15-8-10(7-13-15)16(18)19/h7-8H,3-6,9H2,1-2H3,(H,12,17)/p+1
InChIKeyCJEVMVHJGDEOEF-UHFFFAOYSA-O
MW270.31 g/mol
LogP-1.17
Rot. Bonds8

About diethyl-[2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]ethyl]azanium

diethyl-[2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]ethyl]azanium (PubChem CID 7343395) has the molecular formula C11H20N5O3+ and a molecular weight of 270.31 g/mol. Its IUPAC name is diethyl-[2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]ethyl]azanium.

Molecular Properties

Compound Namediethyl-[2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]ethyl]azanium
PubChem CID7343395
Molecular FormulaC11H20N5O3+
Molecular Weight270.31 g/mol
Exact Mass270.16
IUPAC Namediethyl-[2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]ethyl]azanium
SMILESCC[NH+](CC)CCNC(=O)Cn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C11H19N5O3/c1-3-14(4-2)6-5-12-11(17)9-15-8-10(7-13-15)16(18)19/h7-8H,3-6,9H2,1-2H3,(H,12,17)/p+1
InChIKeyCJEVMVHJGDEOEF-UHFFFAOYSA-O
XLogP-1.17
TPSA94.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
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-butyl-2-(4-nitropyrazol-1-yl)acetamide
CID 4599533
N-hexyl-2-(4-nitropyrazol-1-yl)acetamide
CID 17088517
N-hydroxy-2-(4-nitropyrazol-1-yl)acetamide
CID 131036166
N-(3-aminobutyl)-2-(4-nitropyrazol-1-yl)acetamide;hydrochloride
CID 119496278
N-(2-hydroxy-2-methylbutyl)-2-(4-nitropyrazol-1-yl)acetamide
CID 65110193
2-(4-chloropyrazol-1-yl)-N-[2-(4-nitropyrazol-1-yl)ethyl]acetamide
CID 19281846
N-[2-(methylamino)propyl]-2-(4-nitropyrazol-1-yl)acetamide;hydrochloride
CID 120829486
2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]acetamide
CID 60733166
N-(2-morpholin-4-ylethyl)-2-(4-nitropyrazol-1-yl)acetamide
CID 19516114
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-2-(4-nitropyrazol-1-yl)acetamide
CID 19516064
1-methoxy-3-(4-nitropyrazol-1-yl)propan-2-one
CID 107507631
N-benzyl-2-(4-nitropyrazol-1-yl)acetamide
CID 2983141

Frequently Asked Questions

What is the IUPAC name of diethyl-[2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]ethyl]azanium?
The IUPAC name of diethyl-[2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]ethyl]azanium (CID 7343395) is diethyl-[2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]ethyl]azanium.
What is the SMILES notation for diethyl-[2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]ethyl]azanium?
The canonical SMILES for diethyl-[2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]ethyl]azanium is CC[NH+](CC)CCNC(=O)Cn1cc([N+](=O)[O-])cn1.
What is the InChIKey of diethyl-[2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]ethyl]azanium?
The InChIKey is CJEVMVHJGDEOEF-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H19N5O3/c1-3-14(4-2)6-5-12-11(17)9-15-8-10(7-13-15)16(18)19/h7-8H,3-6,9H2,1-2H3,(H,12,17)/p+1.
What are the key properties of diethyl-[2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]ethyl]azanium?
diethyl-[2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]ethyl]azanium has a molecular weight of 270.31 g/mol, XLogP of -1.17, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]ethyl]azanium is sourced from PubChem (CID 7343395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).