2-(3-nitropyrazol-1-yl)-N-(2-pyrazol-1-ylphenyl)acetamide

C14H12N6O3 — CID 87025087

IUPAC2-(3-nitropyrazol-1-yl)-N-(2-pyrazol-1-ylphenyl)acetamide
SMILESO=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccccc1-n1cccn1
InChIInChI=1S/C14H12N6O3/c21-14(10-18-9-6-13(17-18)20(22)23)16-11-4-1-2-5-12(11)19-8-3-7-15-19/h1-9H,10H2,(H,16,21)
InChIKeyBUNBPLDKGZJWII-UHFFFAOYSA-N
MW312.29 g/mol
LogP1.62
Rot. Bonds5

About 2-(3-nitropyrazol-1-yl)-N-(2-pyrazol-1-ylphenyl)acetamide

2-(3-nitropyrazol-1-yl)-N-(2-pyrazol-1-ylphenyl)acetamide (PubChem CID 87025087) has the molecular formula C14H12N6O3 and a molecular weight of 312.29 g/mol. Its IUPAC name is 2-(3-nitropyrazol-1-yl)-N-(2-pyrazol-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-nitropyrazol-1-yl)-N-(2-pyrazol-1-ylphenyl)acetamide
PubChem CID87025087
Molecular FormulaC14H12N6O3
Molecular Weight312.29 g/mol
Exact Mass312.10
IUPAC Name2-(3-nitropyrazol-1-yl)-N-(2-pyrazol-1-ylphenyl)acetamide
SMILESO=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccccc1-n1cccn1
InChIInChI=1S/C14H12N6O3/c21-14(10-18-9-6-13(17-18)20(22)23)16-11-4-1-2-5-12(11)19-8-3-7-15-19/h1-9H,10H2,(H,16,21)
InChIKeyBUNBPLDKGZJWII-UHFFFAOYSA-N
XLogP1.62
TPSA107.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 51.62
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 2-(3-nitropyrazol-1-yl)-N-(2-pyrazol-1-ylphenyl)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-(2-iodophenyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 47239868
N-(2,6-dimethylphenyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 19521512
6-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid
CID 63643071
4-hydroxy-N-(2-pyrazol-1-ylphenyl)butanamide
CID 79200496
N-benzyl-2-(3-nitropyrazol-1-yl)acetamide
CID 841686
N-(4-iodophenyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 557433
methyl 1-methyl-4-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pyrazole-3-carboxylate
CID 19341551
2-(3-fluoro-4-nitrophenoxy)-N-(2-pyrazol-1-ylphenyl)acetamide
CID 47085121
3-(ethylamino)-N-(2-pyrazol-1-ylphenyl)propanamide
CID 62833081
3-amino-N-(2-pyrazol-1-ylphenyl)butanamide
CID 60837811
2-(2-oxopiperidin-1-yl)-N-(2-pyrazol-1-ylphenyl)acetamide
CID 78883367
4-amino-N-(2-pyrazol-1-ylphenyl)pentanamide;hydrochloride
CID 120558593

Frequently Asked Questions

What is the IUPAC name of 2-(3-nitropyrazol-1-yl)-N-(2-pyrazol-1-ylphenyl)acetamide?
The IUPAC name of 2-(3-nitropyrazol-1-yl)-N-(2-pyrazol-1-ylphenyl)acetamide (CID 87025087) is 2-(3-nitropyrazol-1-yl)-N-(2-pyrazol-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(3-nitropyrazol-1-yl)-N-(2-pyrazol-1-ylphenyl)acetamide?
The canonical SMILES for 2-(3-nitropyrazol-1-yl)-N-(2-pyrazol-1-ylphenyl)acetamide is O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccccc1-n1cccn1.
What is the InChIKey of 2-(3-nitropyrazol-1-yl)-N-(2-pyrazol-1-ylphenyl)acetamide?
The InChIKey is BUNBPLDKGZJWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6O3/c21-14(10-18-9-6-13(17-18)20(22)23)16-11-4-1-2-5-12(11)19-8-3-7-15-19/h1-9H,10H2,(H,16,21).
What are the key properties of 2-(3-nitropyrazol-1-yl)-N-(2-pyrazol-1-ylphenyl)acetamide?
2-(3-nitropyrazol-1-yl)-N-(2-pyrazol-1-ylphenyl)acetamide has a molecular weight of 312.29 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nitropyrazol-1-yl)-N-(2-pyrazol-1-ylphenyl)acetamide is sourced from PubChem (CID 87025087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).