N-(2-aminoethyl)-2-(4-nitropyrazol-1-yl)-N-(2-phenylethyl)acetamide

C15H19N5O3 — CID 120884306

IUPACN-(2-aminoethyl)-2-(4-nitropyrazol-1-yl)-N-(2-phenylethyl)acetamide
SMILESNCCN(CCc1ccccc1)C(=O)Cn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C15H19N5O3/c16-7-9-18(8-6-13-4-2-1-3-5-13)15(21)12-19-11-14(10-17-19)20(22)23/h1-5,10-11H,6-9,12,16H2
InChIKeyXYHOPILKWLCUSP-UHFFFAOYSA-N
MW317.35 g/mol
LogP0.82
Rot. Bonds8

About N-(2-aminoethyl)-2-(4-nitropyrazol-1-yl)-N-(2-phenylethyl)acetamide

N-(2-aminoethyl)-2-(4-nitropyrazol-1-yl)-N-(2-phenylethyl)acetamide (PubChem CID 120884306) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(4-nitropyrazol-1-yl)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(4-nitropyrazol-1-yl)-N-(2-phenylethyl)acetamide
PubChem CID120884306
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC NameN-(2-aminoethyl)-2-(4-nitropyrazol-1-yl)-N-(2-phenylethyl)acetamide
SMILESNCCN(CCc1ccccc1)C(=O)Cn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C15H19N5O3/c16-7-9-18(8-6-13-4-2-1-3-5-13)15(21)12-19-11-14(10-17-19)20(22)23/h1-5,10-11H,6-9,12,16H2
InChIKeyXYHOPILKWLCUSP-UHFFFAOYSA-N
XLogP0.82
TPSA107.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.82
H-Bond Donors ≤ 51
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'}

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Related Compounds

N-(2-aminoethyl)-3-(4-nitropyrazol-1-yl)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120886967
N'-[2-(4-nitropyrazol-1-yl)ethyl]-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120872506
N-benzyl-2-(4-nitropyrazol-1-yl)-N-phenylacetamide
CID 2982830
2-[carboxymethyl-[2-(4-nitropyrazol-1-yl)acetyl]amino]acetic acid
CID 63645061
N-benzyl-2-(4-nitropyrazol-1-yl)acetamide
CID 2983141
2-[[2-(4-nitropyrazol-1-yl)acetyl]-prop-2-enylamino]acetic acid
CID 79264763
N-(2-aminoethyl)-N-(2-phenylethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide;hydrochloride
CID 120884403
2-[benzyl-[3-(4-nitropyrazol-1-yl)propanoyl]amino]acetic acid
CID 119197065
N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
CID 120884412
N-(2-aminoethyl)-1-[2-(dimethylamino)-2-oxoethyl]-N-(2-phenylethyl)triazole-4-carboxamide
CID 120885038
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(4-nitropyrazol-1-yl)acetamide
CID 119653864
N-(2-aminoethyl)-2-(2-fluorophenyl)-N-(2-phenylethyl)acetamide
CID 120885714

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(4-nitropyrazol-1-yl)-N-(2-phenylethyl)acetamide?
The IUPAC name of N-(2-aminoethyl)-2-(4-nitropyrazol-1-yl)-N-(2-phenylethyl)acetamide (CID 120884306) is N-(2-aminoethyl)-2-(4-nitropyrazol-1-yl)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(4-nitropyrazol-1-yl)-N-(2-phenylethyl)acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-(4-nitropyrazol-1-yl)-N-(2-phenylethyl)acetamide is NCCN(CCc1ccccc1)C(=O)Cn1cc([N+](=O)[O-])cn1.
What is the InChIKey of N-(2-aminoethyl)-2-(4-nitropyrazol-1-yl)-N-(2-phenylethyl)acetamide?
The InChIKey is XYHOPILKWLCUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3/c16-7-9-18(8-6-13-4-2-1-3-5-13)15(21)12-19-11-14(10-17-19)20(22)23/h1-5,10-11H,6-9,12,16H2.
What are the key properties of N-(2-aminoethyl)-2-(4-nitropyrazol-1-yl)-N-(2-phenylethyl)acetamide?
N-(2-aminoethyl)-2-(4-nitropyrazol-1-yl)-N-(2-phenylethyl)acetamide has a molecular weight of 317.35 g/mol, XLogP of 0.82, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(4-nitropyrazol-1-yl)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 120884306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).