2-(4-nitropyrazol-1-yl)-N-pyridin-2-ylacetamide

C10H9N5O3 — CID 2979883

IUPAC2-(4-nitropyrazol-1-yl)-N-pyridin-2-ylacetamide
SMILESO=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccccn1
InChIInChI=1S/C10H9N5O3/c16-10(13-9-3-1-2-4-11-9)7-14-6-8(5-12-14)15(17)18/h1-6H,7H2,(H,11,13,16)
InChIKeyXVBHDVIYXLJIRZ-UHFFFAOYSA-N
MW247.21 g/mol
LogP0.82
Rot. Bonds4

About 2-(4-nitropyrazol-1-yl)-N-pyridin-2-ylacetamide

2-(4-nitropyrazol-1-yl)-N-pyridin-2-ylacetamide (PubChem CID 2979883) has the molecular formula C10H9N5O3 and a molecular weight of 247.21 g/mol. Its IUPAC name is 2-(4-nitropyrazol-1-yl)-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-(4-nitropyrazol-1-yl)-N-pyridin-2-ylacetamide
PubChem CID2979883
Molecular FormulaC10H9N5O3
Molecular Weight247.21 g/mol
Exact Mass247.07
IUPAC Name2-(4-nitropyrazol-1-yl)-N-pyridin-2-ylacetamide
SMILESO=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccccn1
InChIInChI=1S/C10H9N5O3/c16-10(13-9-3-1-2-4-11-9)7-14-6-8(5-12-14)15(17)18/h1-6H,7H2,(H,11,13,16)
InChIKeyXVBHDVIYXLJIRZ-UHFFFAOYSA-N
XLogP0.82
TPSA102.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.21
LogP ≤ 50.82
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-Acetamido-5-nitropyridine
CID 345125
N-(6-methylpyridin-2-yl)-2-(4-nitro-1H-pyrazol-1-yl)propanamide
CID 4916122
2-(3,5-Dimethyl-1H-pyrazol-1-yl)-3-nitropyridine
CID 2740944
3-methyl-4-nitroso-1-(pyridin-2-yl)-1H-pyrazol-5-amine
CID 5138169
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 1259244
N-(5-chloro-2-pyridinyl)-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide
CID 1259262
2-(3-nitro-1H-pyrazol-1-yl)-N-2-pyridinylacetamide
CID 1508272
4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(pyridin-2-yl)butanamide
CID 1511624
N-{4-[(5-nitropyridin-2-yl)amino]phenyl}acetamide
CID 3146300
1-[3-[(3-Nitro-2-pyridinyl)amino]propyl]pyrrolidin-2-one
CID 8934039
2-{3-nitro-1H-pyrazol-1-yl}-N-(4-methyl-2-pyridinyl)acetamide
CID 708196
3-(5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(5-methylpyridin-2-yl)propanamide
CID 843498

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitropyrazol-1-yl)-N-pyridin-2-ylacetamide?
The IUPAC name of 2-(4-nitropyrazol-1-yl)-N-pyridin-2-ylacetamide (CID 2979883) is 2-(4-nitropyrazol-1-yl)-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-(4-nitropyrazol-1-yl)-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-(4-nitropyrazol-1-yl)-N-pyridin-2-ylacetamide is O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccccn1.
What is the InChIKey of 2-(4-nitropyrazol-1-yl)-N-pyridin-2-ylacetamide?
The InChIKey is XVBHDVIYXLJIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O3/c16-10(13-9-3-1-2-4-11-9)7-14-6-8(5-12-14)15(17)18/h1-6H,7H2,(H,11,13,16).
What are the key properties of 2-(4-nitropyrazol-1-yl)-N-pyridin-2-ylacetamide?
2-(4-nitropyrazol-1-yl)-N-pyridin-2-ylacetamide has a molecular weight of 247.21 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitropyrazol-1-yl)-N-pyridin-2-ylacetamide is sourced from PubChem (CID 2979883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).