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

C8H8N6O4 — CID 5299775

IUPACN-methyl-3-[(3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCNC(=O)c1nc(Cn2ccc([N+](=O)[O-])n2)no1
InChIInChI=1S/C8H8N6O4/c1-9-7(15)8-10-5(12-18-8)4-13-3-2-6(11-13)14(16)17/h2-3H,4H2,1H3,(H,9,15)
InChIKeyRAFFACGKTNJTES-UHFFFAOYSA-N
MW252.19 g/mol
LogP-0.42
Rot. Bonds4

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

N-methyl-3-[(3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 5299775) has the molecular formula C8H8N6O4 and a molecular weight of 252.19 g/mol. Its IUPAC name is N-methyl-3-[(3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-3-[(3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID5299775
Molecular FormulaC8H8N6O4
Molecular Weight252.19 g/mol
Exact Mass252.06
IUPAC NameN-methyl-3-[(3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCNC(=O)c1nc(Cn2ccc([N+](=O)[O-])n2)no1
InChIInChI=1S/C8H8N6O4/c1-9-7(15)8-10-5(12-18-8)4-13-3-2-6(11-13)14(16)17/h2-3H,4H2,1H3,(H,9,15)
InChIKeyRAFFACGKTNJTES-UHFFFAOYSA-N
XLogP-0.42
TPSA128.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.19
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-methyl-3-[(3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 5297979
N-cyclopropyl-3-[(3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 5298143
3-[(3-nitro-1H-pyrazol-1-yl)methyl]-N-(tetrahydrofuran-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 5298141
N-[3-(1H-imidazol-1-yl)propyl]-3-[(3-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 5299771
N-(4-methylcyclohexyl)-3-[(3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 5299778
N-(2-aminoethyl)-3-[(4-bromopyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 8027143
N-(2-aminoethyl)-3-[(4-iodopyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 8027145
N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 53606012
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-pyrazol-1-ylethanamine
CID 53618403
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-pyrazol-1-ylethanamine
CID 53626023
N~2~-methyl-N~2~-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N~1~-(1-methyl-1H-pyrazol-3-yl)glycinamide
CID 91839701
N-((3-(1-ethyl-1H-pyrazol-4-yl)-1,2,4-oxadiazol-5-yl)methyl)acetamide
CID 121195122

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-methyl-3-[(3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide (CID 5299775) is N-methyl-3-[(3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-methyl-3-[(3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-methyl-3-[(3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide is CNC(=O)c1nc(Cn2ccc([N+](=O)[O-])n2)no1.
What is the InChIKey of N-methyl-3-[(3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is RAFFACGKTNJTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N6O4/c1-9-7(15)8-10-5(12-18-8)4-13-3-2-6(11-13)14(16)17/h2-3H,4H2,1H3,(H,9,15).
What are the key properties of N-methyl-3-[(3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
N-methyl-3-[(3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 252.19 g/mol, XLogP of -0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 5299775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).