N-[(3-methoxyphenyl)methyl]-2-(4-nitropyrazol-1-yl)acetamide

C13H14N4O4 — CID 2983678

IUPACN-[(3-methoxyphenyl)methyl]-2-(4-nitropyrazol-1-yl)acetamide
SMILESCOc1cccc(CNC(=O)Cn2cc([N+](=O)[O-])cn2)c1
InChIInChI=1S/C13H14N4O4/c1-21-12-4-2-3-10(5-12)6-14-13(18)9-16-8-11(7-15-16)17(19)20/h2-5,7-8H,6,9H2,1H3,(H,14,18)
InChIKeyFWHHHJKDYWAWPK-UHFFFAOYSA-N
MW290.28 g/mol
LogP1.12
Rot. Bonds6

About N-[(3-methoxyphenyl)methyl]-2-(4-nitropyrazol-1-yl)acetamide

N-[(3-methoxyphenyl)methyl]-2-(4-nitropyrazol-1-yl)acetamide (PubChem CID 2983678) has the molecular formula C13H14N4O4 and a molecular weight of 290.28 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-2-(4-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-2-(4-nitropyrazol-1-yl)acetamide
PubChem CID2983678
Molecular FormulaC13H14N4O4
Molecular Weight290.28 g/mol
Exact Mass290.10
IUPAC NameN-[(3-methoxyphenyl)methyl]-2-(4-nitropyrazol-1-yl)acetamide
SMILESCOc1cccc(CNC(=O)Cn2cc([N+](=O)[O-])cn2)c1
InChIInChI=1S/C13H14N4O4/c1-21-12-4-2-3-10(5-12)6-14-13(18)9-16-8-11(7-15-16)17(19)20/h2-5,7-8H,6,9H2,1H3,(H,14,18)
InChIKeyFWHHHJKDYWAWPK-UHFFFAOYSA-N
XLogP1.12
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 51.12
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'}

Analyze N-[(3-methoxyphenyl)methyl]-2-(4-nitropyrazol-1-yl)acetamide 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

N-(4-methoxyphenyl)-4-(4-nitro-1H-pyrazol-1-yl)butanamide
CID 4916214
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
1-(3-Methoxy-benzyl)-1H-pyrazol-4-ylamine
CID 6485350
N-(3,4-dimethoxybenzyl)-2-(3-nitro-1H-pyrazol-1-yl)acetamide
CID 1511696
2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(3-methoxybenzyl)acetamide
CID 2978791
2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N'-[(E)-(4-methoxyphenyl)methylidene]acetohydrazide
CID 6890183
N-isopropyl-2-[1-(3-methoxybenzyl)-3-oxopiperazin-2-yl]-N-[(1-methyl-1H-pyrazol-4-yl)methyl]acetamide
CID 16192516
2-(4-nitropyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 757086
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(4-nitropyrazol-1-yl)propanamide
CID 4767016
N-[(3-Methoxyphenyl)methyl]-3-(1H-pyrazol-1-YL)propanamide
CID 16026442

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-2-(4-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-2-(4-nitropyrazol-1-yl)acetamide (CID 2983678) is N-[(3-methoxyphenyl)methyl]-2-(4-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-2-(4-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-2-(4-nitropyrazol-1-yl)acetamide is COc1cccc(CNC(=O)Cn2cc([N+](=O)[O-])cn2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-2-(4-nitropyrazol-1-yl)acetamide?
The InChIKey is FWHHHJKDYWAWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O4/c1-21-12-4-2-3-10(5-12)6-14-13(18)9-16-8-11(7-15-16)17(19)20/h2-5,7-8H,6,9H2,1H3,(H,14,18).
What are the key properties of N-[(3-methoxyphenyl)methyl]-2-(4-nitropyrazol-1-yl)acetamide?
N-[(3-methoxyphenyl)methyl]-2-(4-nitropyrazol-1-yl)acetamide has a molecular weight of 290.28 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-2-(4-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 2983678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).