2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-pyridin-2-ylacetamide

C11H10BrN5O3 — CID 1256425

IUPAC2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-pyridin-2-ylacetamide
SMILESCc1c(Br)c([N+](=O)[O-])nn1CC(=O)Nc1ccccn1
InChIInChI=1S/C11H10BrN5O3/c1-7-10(12)11(17(19)20)15-16(7)6-9(18)14-8-4-2-3-5-13-8/h2-5H,6H2,1H3,(H,13,14,18)
InChIKeyWZIIXCIUVJBXJJ-UHFFFAOYSA-N
MW340.14 g/mol
LogP1.90
Rot. Bonds4

About 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-pyridin-2-ylacetamide

2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-pyridin-2-ylacetamide (PubChem CID 1256425) has the molecular formula C11H10BrN5O3 and a molecular weight of 340.14 g/mol. Its IUPAC name is 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-pyridin-2-ylacetamide
PubChem CID1256425
Molecular FormulaC11H10BrN5O3
Molecular Weight340.14 g/mol
Exact Mass339.00
IUPAC Name2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-pyridin-2-ylacetamide
SMILESCc1c(Br)c([N+](=O)[O-])nn1CC(=O)Nc1ccccn1
InChIInChI=1S/C11H10BrN5O3/c1-7-10(12)11(17(19)20)15-16(7)6-9(18)14-8-4-2-3-5-13-8/h2-5H,6H2,1H3,(H,13,14,18)
InChIKeyWZIIXCIUVJBXJJ-UHFFFAOYSA-N
XLogP1.90
TPSA102.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.14
LogP ≤ 51.90
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-pyridin-2-ylacetamide?
The IUPAC name of 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-pyridin-2-ylacetamide (CID 1256425) is 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-pyridin-2-ylacetamide is Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)Nc1ccccn1.
What is the InChIKey of 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-pyridin-2-ylacetamide?
The InChIKey is WZIIXCIUVJBXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN5O3/c1-7-10(12)11(17(19)20)15-16(7)6-9(18)14-8-4-2-3-5-13-8/h2-5H,6H2,1H3,(H,13,14,18).
What are the key properties of 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-pyridin-2-ylacetamide?
2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-pyridin-2-ylacetamide has a molecular weight of 340.14 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-pyridin-2-ylacetamide is sourced from PubChem (CID 1256425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).