N-(4-acetylphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide

C14H14N4O4 — CID 19521235

IUPACN-(4-acetylphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
SMILESCC(=O)c1ccc(NC(=O)Cn2nc([N+](=O)[O-])cc2C)cc1
InChIInChI=1S/C14H14N4O4/c1-9-7-13(18(21)22)16-17(9)8-14(20)15-12-5-3-11(4-6-12)10(2)19/h3-7H,8H2,1-2H3,(H,15,20)
InChIKeyYYNQQRKUSXXETN-UHFFFAOYSA-N
MW302.29 g/mol
LogP1.94
Rot. Bonds5

About N-(4-acetylphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide

N-(4-acetylphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide (PubChem CID 19521235) has the molecular formula C14H14N4O4 and a molecular weight of 302.29 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
PubChem CID19521235
Molecular FormulaC14H14N4O4
Molecular Weight302.29 g/mol
Exact Mass302.10
IUPAC NameN-(4-acetylphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
SMILESCC(=O)c1ccc(NC(=O)Cn2nc([N+](=O)[O-])cc2C)cc1
InChIInChI=1S/C14H14N4O4/c1-9-7-13(18(21)22)16-17(9)8-14(20)15-12-5-3-11(4-6-12)10(2)19/h3-7H,8H2,1-2H3,(H,15,20)
InChIKeyYYNQQRKUSXXETN-UHFFFAOYSA-N
XLogP1.94
TPSA107.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 51.94
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

2-(5-methyl-3-nitropyrazol-1-yl)-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide
CID 4555387
4-[3-(5-methyl-3-nitropyrazol-1-yl)propanoylamino]benzoic acid
CID 19583503
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
CID 19521216
methyl 4-[[[2-(5-methyl-3-nitropyrazol-1-yl)acetyl]amino]methyl]benzoate
CID 5301199
2-(5-methyl-3-nitropyrazol-1-yl)-N-[3-(2-methylphenoxy)-5-nitrophenyl]acetamide
CID 19521318
N-(4-acetylphenyl)-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]acetamide
CID 42285772
N-(4-acetamidophenyl)-2-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzamide
CID 4865570
N-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
CID 19521311
N-(5-chloro-2-methoxyphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
CID 749086
2-(5-methyl-3-nitropyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]acetamide
CID 19521281
3-(5-methyl-3-nitropyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 19541717
N-cyclohexyl-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
CID 749619

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide (CID 19521235) is N-(4-acetylphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide is CC(=O)c1ccc(NC(=O)Cn2nc([N+](=O)[O-])cc2C)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide?
The InChIKey is YYNQQRKUSXXETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O4/c1-9-7-13(18(21)22)16-17(9)8-14(20)15-12-5-3-11(4-6-12)10(2)19/h3-7H,8H2,1-2H3,(H,15,20).
What are the key properties of N-(4-acetylphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide?
N-(4-acetylphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide has a molecular weight of 302.29 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 19521235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).