N-(5-ethyl-1H-pyrazol-3-yl)-5-nitro-2-oxo-1H-pyridine-3-carboxamide

C11H11N5O4 — CID 115609335

IUPACN-(5-ethyl-1H-pyrazol-3-yl)-5-nitro-2-oxo-1H-pyridine-3-carboxamide
SMILESCCc1cc(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)n[nH]1
InChIInChI=1S/C11H11N5O4/c1-2-6-3-9(15-14-6)13-11(18)8-4-7(16(19)20)5-12-10(8)17/h3-5H,2H2,1H3,(H,12,17)(H2,13,14,15,18)
InChIKeyPRTLKLOZRHFDLT-UHFFFAOYSA-N
MW277.24 g/mol
LogP0.82
Rot. Bonds4

About N-(5-ethyl-1H-pyrazol-3-yl)-5-nitro-2-oxo-1H-pyridine-3-carboxamide

N-(5-ethyl-1H-pyrazol-3-yl)-5-nitro-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 115609335) has the molecular formula C11H11N5O4 and a molecular weight of 277.24 g/mol. Its IUPAC name is N-(5-ethyl-1H-pyrazol-3-yl)-5-nitro-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1H-pyrazol-3-yl)-5-nitro-2-oxo-1H-pyridine-3-carboxamide
PubChem CID115609335
Molecular FormulaC11H11N5O4
Molecular Weight277.24 g/mol
Exact Mass277.08
IUPAC NameN-(5-ethyl-1H-pyrazol-3-yl)-5-nitro-2-oxo-1H-pyridine-3-carboxamide
SMILESCCc1cc(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)n[nH]1
InChIInChI=1S/C11H11N5O4/c1-2-6-3-9(15-14-6)13-11(18)8-4-7(16(19)20)5-12-10(8)17/h3-5H,2H2,1H3,(H,12,17)(H2,13,14,15,18)
InChIKeyPRTLKLOZRHFDLT-UHFFFAOYSA-N
XLogP0.82
TPSA133.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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N-(5-ethyl-1H-pyrazol-3-yl)-2-oxo-1H-pyridine-3-carboxamide
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N-(5-ethyl-1H-pyrazol-3-yl)-3-methyl-5-nitrobenzamide
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5-nitro-2-oxo-1H-pyridine-3-carbohydrazide
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N-(5-ethyl-1H-pyrazol-3-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
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2-fluoro-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)-5-nitrobenzamide
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N-(5-ethyl-1H-pyrazol-3-yl)-5-fluoro-2-hydroxybenzamide
CID 112697504
(5-ethyl-1H-pyrazol-3-yl)urea
CID 104620406
1-ethyl-N-(5-ethyl-1H-pyrazol-3-yl)-3-methyl-4-nitropyrazole-5-carboxamide
CID 86790322

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-5-nitro-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-5-nitro-2-oxo-1H-pyridine-3-carboxamide (CID 115609335) is N-(5-ethyl-1H-pyrazol-3-yl)-5-nitro-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(5-ethyl-1H-pyrazol-3-yl)-5-nitro-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(5-ethyl-1H-pyrazol-3-yl)-5-nitro-2-oxo-1H-pyridine-3-carboxamide is CCc1cc(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)n[nH]1.
What is the InChIKey of N-(5-ethyl-1H-pyrazol-3-yl)-5-nitro-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is PRTLKLOZRHFDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O4/c1-2-6-3-9(15-14-6)13-11(18)8-4-7(16(19)20)5-12-10(8)17/h3-5H,2H2,1H3,(H,12,17)(H2,13,14,15,18).
What are the key properties of N-(5-ethyl-1H-pyrazol-3-yl)-5-nitro-2-oxo-1H-pyridine-3-carboxamide?
N-(5-ethyl-1H-pyrazol-3-yl)-5-nitro-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 277.24 g/mol, XLogP of 0.82, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1H-pyrazol-3-yl)-5-nitro-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 115609335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).