2-(4-nitropyrazol-1-yl)-N-[(1R)-1-pyridin-2-ylpropyl]acetamide

C13H15N5O3 — CID 126827782

IUPAC2-(4-nitropyrazol-1-yl)-N-[(1R)-1-pyridin-2-ylpropyl]acetamide
SMILESCC[C@@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccccn1
InChIInChI=1S/C13H15N5O3/c1-2-11(12-5-3-4-6-14-12)16-13(19)9-17-8-10(7-15-17)18(20)21/h3-8,11H,2,9H2,1H3,(H,16,19)/t11-/m1/s1
InChIKeyQYQSVBHTINQPSV-LLVKDONJSA-N
MW289.30 g/mol
LogP1.45
Rot. Bonds6

About 2-(4-nitropyrazol-1-yl)-N-[(1R)-1-pyridin-2-ylpropyl]acetamide

2-(4-nitropyrazol-1-yl)-N-[(1R)-1-pyridin-2-ylpropyl]acetamide (PubChem CID 126827782) has the molecular formula C13H15N5O3 and a molecular weight of 289.30 g/mol. Its IUPAC name is 2-(4-nitropyrazol-1-yl)-N-[(1R)-1-pyridin-2-ylpropyl]acetamide.

Molecular Properties

Compound Name2-(4-nitropyrazol-1-yl)-N-[(1R)-1-pyridin-2-ylpropyl]acetamide
PubChem CID126827782
Molecular FormulaC13H15N5O3
Molecular Weight289.30 g/mol
Exact Mass289.12
IUPAC Name2-(4-nitropyrazol-1-yl)-N-[(1R)-1-pyridin-2-ylpropyl]acetamide
SMILESCC[C@@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccccn1
InChIInChI=1S/C13H15N5O3/c1-2-11(12-5-3-4-6-14-12)16-13(19)9-17-8-10(7-15-17)18(20)21/h3-8,11H,2,9H2,1H3,(H,16,19)/t11-/m1/s1
InChIKeyQYQSVBHTINQPSV-LLVKDONJSA-N
XLogP1.45
TPSA102.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 51.45
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

(2R)-2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]propanoic acid
CID 54990888
N-benzyl-2-(4-nitropyrazol-1-yl)acetamide
CID 2983141
N-hydroxy-2-(4-nitropyrazol-1-yl)acetamide
CID 131036166
N-[(2R)-1-methoxypropan-2-yl]-2-(4-nitropyrazol-1-yl)acetamide
CID 35562414
N-(3-aminobutyl)-2-(4-nitropyrazol-1-yl)acetamide;hydrochloride
CID 119496278
2-(4-nitropyrazol-1-yl)-N-(2-propylphenyl)acetamide
CID 31870599
N-(3-chloro-2-methylphenyl)-2-(4-nitropyrazol-1-yl)acetamide
CID 19515897
N-[1-(4-ethyl-1,3-thiazol-2-yl)ethyl]-2-(4-nitropyrazol-1-yl)acetamide
CID 126827824
3-hydroxy-2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]propanoic acid
CID 43357618
methyl 3-methyl-2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]butanoate
CID 43423558
N-[(2S)-3-methyl-2-phenylbutyl]-2-(4-nitropyrazol-1-yl)acetamide
CID 35015141
N-butyl-2-(4-nitropyrazol-1-yl)acetamide
CID 4599533

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitropyrazol-1-yl)-N-[(1R)-1-pyridin-2-ylpropyl]acetamide?
The IUPAC name of 2-(4-nitropyrazol-1-yl)-N-[(1R)-1-pyridin-2-ylpropyl]acetamide (CID 126827782) is 2-(4-nitropyrazol-1-yl)-N-[(1R)-1-pyridin-2-ylpropyl]acetamide.
What is the SMILES notation for 2-(4-nitropyrazol-1-yl)-N-[(1R)-1-pyridin-2-ylpropyl]acetamide?
The canonical SMILES for 2-(4-nitropyrazol-1-yl)-N-[(1R)-1-pyridin-2-ylpropyl]acetamide is CC[C@@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccccn1.
What is the InChIKey of 2-(4-nitropyrazol-1-yl)-N-[(1R)-1-pyridin-2-ylpropyl]acetamide?
The InChIKey is QYQSVBHTINQPSV-LLVKDONJSA-N. The full InChI is InChI=1S/C13H15N5O3/c1-2-11(12-5-3-4-6-14-12)16-13(19)9-17-8-10(7-15-17)18(20)21/h3-8,11H,2,9H2,1H3,(H,16,19)/t11-/m1/s1.
What are the key properties of 2-(4-nitropyrazol-1-yl)-N-[(1R)-1-pyridin-2-ylpropyl]acetamide?
2-(4-nitropyrazol-1-yl)-N-[(1R)-1-pyridin-2-ylpropyl]acetamide has a molecular weight of 289.30 g/mol, XLogP of 1.45, 6 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-[(1R)-1-pyridin-2-ylpropyl]acetamide is sourced from PubChem (CID 126827782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).