N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(4-nitropyrazol-1-yl)propanamide

C16H20N4O5 — CID 4767016

IUPACN-[1-(2,5-dimethoxyphenyl)ethyl]-2-(4-nitropyrazol-1-yl)propanamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)C(C)n2cc([N+](=O)[O-])cn2)c1
InChIInChI=1S/C16H20N4O5/c1-10(14-7-13(24-3)5-6-15(14)25-4)18-16(21)11(2)19-9-12(8-17-19)20(22)23/h5-11H,1-4H3,(H,18,21)
InChIKeyVMQOEJROHHTBSW-UHFFFAOYSA-N
MW348.36 g/mol
LogP2.25
Rot. Bonds7

About N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(4-nitropyrazol-1-yl)propanamide

N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(4-nitropyrazol-1-yl)propanamide (PubChem CID 4767016) has the molecular formula C16H20N4O5 and a molecular weight of 348.36 g/mol. Its IUPAC name is N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(4-nitropyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethoxyphenyl)ethyl]-2-(4-nitropyrazol-1-yl)propanamide
PubChem CID4767016
Molecular FormulaC16H20N4O5
Molecular Weight348.36 g/mol
Exact Mass348.14
IUPAC NameN-[1-(2,5-dimethoxyphenyl)ethyl]-2-(4-nitropyrazol-1-yl)propanamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)C(C)n2cc([N+](=O)[O-])cn2)c1
InChIInChI=1S/C16H20N4O5/c1-10(14-7-13(24-3)5-6-15(14)25-4)18-16(21)11(2)19-9-12(8-17-19)20(22)23/h5-11H,1-4H3,(H,18,21)
InChIKeyVMQOEJROHHTBSW-UHFFFAOYSA-N
XLogP2.25
TPSA108.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(4-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

2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 841200
N-[(4-methoxyphenyl)methyl]-2-(4-nitropyrazol-1-yl)acetamide
CID 841766
N-(3-methoxybenzyl)-2-(3-nitro-1H-pyrazol-1-yl)acetamide
CID 2978699
N-(3-methoxybenzyl)-2-(4-nitro-1H-pyrazol-1-yl)acetamide
CID 2983678
2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(3-methoxybenzyl)acetamide
CID 2978791
N-(2-ethoxybenzyl)-1-ethyl-4-nitro-1H-pyrazole-3-carboxamide
CID 832039
1-[2-(Dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(1-ethylpyrazol-4-yl)urea
CID 45821371
N-[(3-methoxyphenyl)methyl]-2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 53602453
N-[(2-methoxyphenyl)methyl]-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]propanamide
CID 53625295
N-[(2-methoxyphenyl)methyl]-2-[2-(4-methylpyrazol-1-yl)ethylamino]acetamide
CID 72142094
N-[1-(2-methoxyphenyl)ethyl]-2-(4-methylpyrazol-1-yl)acetamide
CID 47301154
(2R)-N-[2-(2-methoxyphenyl)ethyl]-2-(methylamino)-2-(1-methylpyrazol-4-yl)acetamide
CID 164643029

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(4-nitropyrazol-1-yl)propanamide?
The IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(4-nitropyrazol-1-yl)propanamide (CID 4767016) is N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(4-nitropyrazol-1-yl)propanamide.
What is the SMILES notation for N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(4-nitropyrazol-1-yl)propanamide?
The canonical SMILES for N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(4-nitropyrazol-1-yl)propanamide is COc1ccc(OC)c(C(C)NC(=O)C(C)n2cc([N+](=O)[O-])cn2)c1.
What is the InChIKey of N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(4-nitropyrazol-1-yl)propanamide?
The InChIKey is VMQOEJROHHTBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O5/c1-10(14-7-13(24-3)5-6-15(14)25-4)18-16(21)11(2)19-9-12(8-17-19)20(22)23/h5-11H,1-4H3,(H,18,21).
What are the key properties of N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(4-nitropyrazol-1-yl)propanamide?
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(4-nitropyrazol-1-yl)propanamide has a molecular weight of 348.36 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(4-nitropyrazol-1-yl)propanamide is sourced from PubChem (CID 4767016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).