N-(5-chloro-2-pyridinyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide

C11H10ClN5O3 — CID 1259262

IUPACN-(5-chloro-2-pyridinyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
SMILESCc1cc([N+](=O)[O-])nn1CC(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C11H10ClN5O3/c1-7-4-10(17(19)20)15-16(7)6-11(18)14-9-3-2-8(12)5-13-9/h2-5H,6H2,1H3,(H,13,14,18)
InChIKeyQHNLBUAXPMNEJQ-UHFFFAOYSA-N
MW295.69 g/mol
LogP1.79
Rot. Bonds4

About N-(5-chloro-2-pyridinyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide

N-(5-chloro-2-pyridinyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide (PubChem CID 1259262) has the molecular formula C11H10ClN5O3 and a molecular weight of 295.69 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
PubChem CID1259262
Molecular FormulaC11H10ClN5O3
Molecular Weight295.69 g/mol
Exact Mass295.05
IUPAC NameN-(5-chloro-2-pyridinyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
SMILESCc1cc([N+](=O)[O-])nn1CC(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C11H10ClN5O3/c1-7-4-10(17(19)20)15-16(7)6-11(18)14-9-3-2-8(12)5-13-9/h2-5H,6H2,1H3,(H,13,14,18)
InChIKeyQHNLBUAXPMNEJQ-UHFFFAOYSA-N
XLogP1.79
TPSA102.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.69
LogP ≤ 51.79
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 N-(5-chloro-2-pyridinyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide (CID 1259262) is N-(5-chloro-2-pyridinyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide is Cc1cc([N+](=O)[O-])nn1CC(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide?
The InChIKey is QHNLBUAXPMNEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN5O3/c1-7-4-10(17(19)20)15-16(7)6-11(18)14-9-3-2-8(12)5-13-9/h2-5H,6H2,1H3,(H,13,14,18).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide?
N-(5-chloro-2-pyridinyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide has a molecular weight of 295.69 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 1259262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).