3-[(5-methyl-3-nitropyrazol-1-yl)methyl]-N-(2-pyridin-2-ylethyl)-1,2,4-oxadiazole-5-carboxamide

C15H15N7O4 — CID 5299487

IUPAC3-[(5-methyl-3-nitropyrazol-1-yl)methyl]-N-(2-pyridin-2-ylethyl)-1,2,4-oxadiazole-5-carboxamide
SMILESCc1cc([N+](=O)[O-])nn1Cc1noc(C(=O)NCCc2ccccn2)n1
InChIInChI=1S/C15H15N7O4/c1-10-8-13(22(24)25)19-21(10)9-12-18-15(26-20-12)14(23)17-7-5-11-4-2-3-6-16-11/h2-4,6,8H,5,7,9H2,1H3,(H,17,23)
InChIKeyCBSFBVIITBHZQO-UHFFFAOYSA-N
MW357.33 g/mol
LogP0.90
Rot. Bonds7

About 3-[(5-methyl-3-nitropyrazol-1-yl)methyl]-N-(2-pyridin-2-ylethyl)-1,2,4-oxadiazole-5-carboxamide

3-[(5-methyl-3-nitropyrazol-1-yl)methyl]-N-(2-pyridin-2-ylethyl)-1,2,4-oxadiazole-5-carboxamide (PubChem CID 5299487) has the molecular formula C15H15N7O4 and a molecular weight of 357.33 g/mol. Its IUPAC name is 3-[(5-methyl-3-nitropyrazol-1-yl)methyl]-N-(2-pyridin-2-ylethyl)-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[(5-methyl-3-nitropyrazol-1-yl)methyl]-N-(2-pyridin-2-ylethyl)-1,2,4-oxadiazole-5-carboxamide
PubChem CID5299487
Molecular FormulaC15H15N7O4
Molecular Weight357.33 g/mol
Exact Mass357.12
IUPAC Name3-[(5-methyl-3-nitropyrazol-1-yl)methyl]-N-(2-pyridin-2-ylethyl)-1,2,4-oxadiazole-5-carboxamide
SMILESCc1cc([N+](=O)[O-])nn1Cc1noc(C(=O)NCCc2ccccn2)n1
InChIInChI=1S/C15H15N7O4/c1-10-8-13(22(24)25)19-21(10)9-12-18-15(26-20-12)14(23)17-7-5-11-4-2-3-6-16-11/h2-4,6,8H,5,7,9H2,1H3,(H,17,23)
InChIKeyCBSFBVIITBHZQO-UHFFFAOYSA-N
XLogP0.90
TPSA141.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.33
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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-(3-nitro-1H-pyrazol-1-yl)-N-2-pyridinylacetamide
CID 1508272
2-(5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3-methyl-2-pyridinyl)acetamide
CID 1257542
3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-[2-(pyridin-2-yl)ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 5299452
N-(6-methylpyridin-2-yl)-2-(4-nitro-1H-pyrazol-1-yl)acetamide
CID 1502852
2-(5-Methyl-3-nitro-pyrazol-1-yl)-N-pyridin-2-yl-acetamide
CID 578137
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-pyridin-2-ylacetamide
CID 2168140
3-[(3-nitropyrazol-1-yl)methyl]-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 5298142
3-[(3-Nitropyrazol-1-YL)methyl]-N-[2-(pyridin-2-YL)ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 5299453
3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 1512161
3-[(3-Nitropyrazol-1-YL)methyl]-N-{[4-(pyrrol-1-YL)phenyl]methyl}-1,2,4-oxadiazole-5-carboxamide
CID 5300710
3-[(4-bromopyrazol-1-yl)methyl]-N-(2-pyridin-2-ylethyl)-1,2,4-oxadiazole-5-carboxamide
CID 5299475
3-[(4-nitropyrazol-1-yl)methyl]-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 5296997

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-3-nitropyrazol-1-yl)methyl]-N-(2-pyridin-2-ylethyl)-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[(5-methyl-3-nitropyrazol-1-yl)methyl]-N-(2-pyridin-2-ylethyl)-1,2,4-oxadiazole-5-carboxamide (CID 5299487) is 3-[(5-methyl-3-nitropyrazol-1-yl)methyl]-N-(2-pyridin-2-ylethyl)-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[(5-methyl-3-nitropyrazol-1-yl)methyl]-N-(2-pyridin-2-ylethyl)-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[(5-methyl-3-nitropyrazol-1-yl)methyl]-N-(2-pyridin-2-ylethyl)-1,2,4-oxadiazole-5-carboxamide is Cc1cc([N+](=O)[O-])nn1Cc1noc(C(=O)NCCc2ccccn2)n1.
What is the InChIKey of 3-[(5-methyl-3-nitropyrazol-1-yl)methyl]-N-(2-pyridin-2-ylethyl)-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is CBSFBVIITBHZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7O4/c1-10-8-13(22(24)25)19-21(10)9-12-18-15(26-20-12)14(23)17-7-5-11-4-2-3-6-16-11/h2-4,6,8H,5,7,9H2,1H3,(H,17,23).
What are the key properties of 3-[(5-methyl-3-nitropyrazol-1-yl)methyl]-N-(2-pyridin-2-ylethyl)-1,2,4-oxadiazole-5-carboxamide?
3-[(5-methyl-3-nitropyrazol-1-yl)methyl]-N-(2-pyridin-2-ylethyl)-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 357.33 g/mol, XLogP of 0.90, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-3-nitropyrazol-1-yl)methyl]-N-(2-pyridin-2-ylethyl)-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 5299487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).