N-[(4-methoxyphenyl)methyl]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide

C14H16N4O4 — CID 3106231

IUPACN-[(4-methoxyphenyl)methyl]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
SMILESCOc1ccc(CNC(=O)Cn2nc([N+](=O)[O-])cc2C)cc1
InChIInChI=1S/C14H16N4O4/c1-10-7-13(18(20)21)16-17(10)9-14(19)15-8-11-3-5-12(22-2)6-4-11/h3-7H,8-9H2,1-2H3,(H,15,19)
InChIKeyIUOKXWYHTHMGEG-UHFFFAOYSA-N
MW304.31 g/mol
LogP1.42
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide

N-[(4-methoxyphenyl)methyl]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide (PubChem CID 3106231) has the molecular formula C14H16N4O4 and a molecular weight of 304.31 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
PubChem CID3106231
Molecular FormulaC14H16N4O4
Molecular Weight304.31 g/mol
Exact Mass304.12
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
SMILESCOc1ccc(CNC(=O)Cn2nc([N+](=O)[O-])cc2C)cc1
InChIInChI=1S/C14H16N4O4/c1-10-7-13(18(20)21)16-17(10)9-14(19)15-8-11-3-5-12(22-2)6-4-11/h3-7H,8-9H2,1-2H3,(H,15,19)
InChIKeyIUOKXWYHTHMGEG-UHFFFAOYSA-N
XLogP1.42
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 51.42
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-[(E)-(3-methoxyphenyl)methylideneamino]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
CID 6887278
2-{4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}-N-(2-methoxybenzyl)acetamide
CID 841200
2-{4-nitro-1H-pyrazol-1-yl}-N-(4-methoxybenzyl)acetamide
CID 841766
N-(3-methoxybenzyl)-2-(3-nitro-1H-pyrazol-1-yl)acetamide
CID 2978699
1-[1-(4-methoxyphenyl)-2-nitroethyl]-3,5-dimethyl-1H-pyrazole
CID 3631325
4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(4-methoxybenzyl)butanamide
CID 5056530
N'-(2-{3-nitro-5-methyl-1H-pyrazol-1-yl}-1-methylethylidene)-4-methoxybenzohydrazide
CID 9616045
N-(4-methoxybenzyl)-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
CID 16193082
N'-[(1E)-1-(4-ethoxyphenyl)ethylidene]-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetohydrazide
CID 9616960
N-(3,4-dimethoxybenzyl)-2-(3-nitro-1H-pyrazol-1-yl)acetamide
CID 1511696
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 2978791
2-(5-methyl-3-nitropyrazol-1-yl)-N-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]acetamide
CID 6868572

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide (CID 3106231) is N-[(4-methoxyphenyl)methyl]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide is COc1ccc(CNC(=O)Cn2nc([N+](=O)[O-])cc2C)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide?
The InChIKey is IUOKXWYHTHMGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O4/c1-10-7-13(18(20)21)16-17(10)9-14(19)15-8-11-3-5-12(22-2)6-4-11/h3-7H,8-9H2,1-2H3,(H,15,19).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide?
N-[(4-methoxyphenyl)methyl]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide has a molecular weight of 304.31 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 3106231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).