N-(4-iodophenyl)-2-(3-nitropyrazol-1-yl)acetamide

C11H9IN4O3 — CID 557433

IUPACN-(4-iodophenyl)-2-(3-nitropyrazol-1-yl)acetamide
SMILESO=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccc(I)cc1
InChIInChI=1S/C11H9IN4O3/c12-8-1-3-9(4-2-8)13-11(17)7-15-6-5-10(14-15)16(18)19/h1-6H,7H2,(H,13,17)
InChIKeyHJLLEYNDLAQBHS-UHFFFAOYSA-N
MW372.12 g/mol
LogP2.03
Rot. Bonds4

About N-(4-iodophenyl)-2-(3-nitropyrazol-1-yl)acetamide

N-(4-iodophenyl)-2-(3-nitropyrazol-1-yl)acetamide (PubChem CID 557433) has the molecular formula C11H9IN4O3 and a molecular weight of 372.12 g/mol. Its IUPAC name is N-(4-iodophenyl)-2-(3-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-2-(3-nitropyrazol-1-yl)acetamide
PubChem CID557433
Molecular FormulaC11H9IN4O3
Molecular Weight372.12 g/mol
Exact Mass371.97
IUPAC NameN-(4-iodophenyl)-2-(3-nitropyrazol-1-yl)acetamide
SMILESO=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccc(I)cc1
InChIInChI=1S/C11H9IN4O3/c12-8-1-3-9(4-2-8)13-11(17)7-15-6-5-10(14-15)16(18)19/h1-6H,7H2,(H,13,17)
InChIKeyHJLLEYNDLAQBHS-UHFFFAOYSA-N
XLogP2.03
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.12
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-iodophenyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 47239868
N-(4-morpholin-4-ylsulfonylphenyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 19521582
N-(2,6-dimethylphenyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 19521512
N-cyclopropyl-2-(3-nitropyrazol-1-yl)acetamide
CID 19521509
6-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid
CID 63643071
N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(3-nitropyrazol-1-yl)acetamide
CID 19521755
N-benzyl-2-(3-nitropyrazol-1-yl)acetamide
CID 841686
N-[3-(hydroxymethyl)pentan-3-yl]-2-(3-nitropyrazol-1-yl)acetamide
CID 55082351
2-(3-nitropyrazol-1-yl)-N-(2-pyrazol-1-ylphenyl)acetamide
CID 87025087
methyl 1-methyl-4-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pyrazole-3-carboxylate
CID 19341551
methyl 3-chloro-6-[[2-(3-nitropyrazol-1-yl)acetyl]amino]-1-benzothiophene-2-carboxylate
CID 19521694
ethyl 5-[[2-(3-nitropyrazol-1-yl)acetyl]amino]-1-benzothiophene-2-carboxylate
CID 55851736

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-2-(3-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-(4-iodophenyl)-2-(3-nitropyrazol-1-yl)acetamide (CID 557433) is N-(4-iodophenyl)-2-(3-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-(4-iodophenyl)-2-(3-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-(4-iodophenyl)-2-(3-nitropyrazol-1-yl)acetamide is O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccc(I)cc1.
What is the InChIKey of N-(4-iodophenyl)-2-(3-nitropyrazol-1-yl)acetamide?
The InChIKey is HJLLEYNDLAQBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9IN4O3/c12-8-1-3-9(4-2-8)13-11(17)7-15-6-5-10(14-15)16(18)19/h1-6H,7H2,(H,13,17).
What are the key properties of N-(4-iodophenyl)-2-(3-nitropyrazol-1-yl)acetamide?
N-(4-iodophenyl)-2-(3-nitropyrazol-1-yl)acetamide has a molecular weight of 372.12 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-2-(3-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 557433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).