N-(4-ethoxy-2-nitrophenyl)-3-(5-methyl-3-nitropyrazol-1-yl)propanamide

C15H17N5O6 — CID 19541775

IUPACN-(4-ethoxy-2-nitrophenyl)-3-(5-methyl-3-nitropyrazol-1-yl)propanamide
SMILESCCOc1ccc(NC(=O)CCn2nc([N+](=O)[O-])cc2C)c([N+](=O)[O-])c1
InChIInChI=1S/C15H17N5O6/c1-3-26-11-4-5-12(13(9-11)19(22)23)16-15(21)6-7-18-10(2)8-14(17-18)20(24)25/h4-5,8-9H,3,6-7H2,1-2H3,(H,16,21)
InChIKeyUFNCSCZKMHZFSB-UHFFFAOYSA-N
MW363.33 g/mol
LogP2.44
Rot. Bonds8

About N-(4-ethoxy-2-nitrophenyl)-3-(5-methyl-3-nitropyrazol-1-yl)propanamide

N-(4-ethoxy-2-nitrophenyl)-3-(5-methyl-3-nitropyrazol-1-yl)propanamide (PubChem CID 19541775) has the molecular formula C15H17N5O6 and a molecular weight of 363.33 g/mol. Its IUPAC name is N-(4-ethoxy-2-nitrophenyl)-3-(5-methyl-3-nitropyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-ethoxy-2-nitrophenyl)-3-(5-methyl-3-nitropyrazol-1-yl)propanamide
PubChem CID19541775
Molecular FormulaC15H17N5O6
Molecular Weight363.33 g/mol
Exact Mass363.12
IUPAC NameN-(4-ethoxy-2-nitrophenyl)-3-(5-methyl-3-nitropyrazol-1-yl)propanamide
SMILESCCOc1ccc(NC(=O)CCn2nc([N+](=O)[O-])cc2C)c([N+](=O)[O-])c1
InChIInChI=1S/C15H17N5O6/c1-3-26-11-4-5-12(13(9-11)19(22)23)16-15(21)6-7-18-10(2)8-14(17-18)20(24)25/h4-5,8-9H,3,6-7H2,1-2H3,(H,16,21)
InChIKeyUFNCSCZKMHZFSB-UHFFFAOYSA-N
XLogP2.44
TPSA142.43 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(4-ethoxy-2-nitrophenyl)-3-(5-methyl-3-nitropyrazol-1-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxy-2-nitrophenyl)propanamide
CID 19553863
N,N'-bis(4-ethoxy-2-nitrophenyl)hexanediamide
CID 5235455
3-chloro-N-(4-ethoxy-2-nitrophenyl)propanamide
CID 4644339
N-(4-ethoxy-2-nitrophenyl)pentanamide
CID 4295410
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(4-ethoxy-2-nitrophenyl)acetamide
CID 19525497
3-(5-methyl-3-nitropyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 19541717
ethyl N-(4-ethoxy-2-nitrophenyl)carbamate
CID 4110254
methyl 1-methyl-4-[3-(5-methyl-3-nitropyrazol-1-yl)propanoylamino]pyrazole-5-carboxylate
CID 19342185
4-[3-(5-methyl-3-nitropyrazol-1-yl)propanoylamino]benzoic acid
CID 19583503
3-(5-methyl-3-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide
CID 19283152
N-(4-ethoxy-2-nitrophenyl)-2-phenoxyacetamide
CID 2876934
N-[3-(4-methoxyphenoxy)-5-nitrophenyl]-3-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19541811

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-2-nitrophenyl)-3-(5-methyl-3-nitropyrazol-1-yl)propanamide?
The IUPAC name of N-(4-ethoxy-2-nitrophenyl)-3-(5-methyl-3-nitropyrazol-1-yl)propanamide (CID 19541775) is N-(4-ethoxy-2-nitrophenyl)-3-(5-methyl-3-nitropyrazol-1-yl)propanamide.
What is the SMILES notation for N-(4-ethoxy-2-nitrophenyl)-3-(5-methyl-3-nitropyrazol-1-yl)propanamide?
The canonical SMILES for N-(4-ethoxy-2-nitrophenyl)-3-(5-methyl-3-nitropyrazol-1-yl)propanamide is CCOc1ccc(NC(=O)CCn2nc([N+](=O)[O-])cc2C)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-ethoxy-2-nitrophenyl)-3-(5-methyl-3-nitropyrazol-1-yl)propanamide?
The InChIKey is UFNCSCZKMHZFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O6/c1-3-26-11-4-5-12(13(9-11)19(22)23)16-15(21)6-7-18-10(2)8-14(17-18)20(24)25/h4-5,8-9H,3,6-7H2,1-2H3,(H,16,21).
What are the key properties of N-(4-ethoxy-2-nitrophenyl)-3-(5-methyl-3-nitropyrazol-1-yl)propanamide?
N-(4-ethoxy-2-nitrophenyl)-3-(5-methyl-3-nitropyrazol-1-yl)propanamide has a molecular weight of 363.33 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-2-nitrophenyl)-3-(5-methyl-3-nitropyrazol-1-yl)propanamide is sourced from PubChem (CID 19541775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).