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

C9H10N6O4 — CID 118678357

IUPACN-methyl-3-[(3-methyl-4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCNC(=O)c1nc(Cn2cc([N+](=O)[O-])c(C)n2)no1
InChIInChI=1S/C9H10N6O4/c1-5-6(15(17)18)3-14(12-5)4-7-11-9(19-13-7)8(16)10-2/h3H,4H2,1-2H3,(H,10,16)
InChIKeyCXLVHDULLPKRJT-UHFFFAOYSA-N
MW266.22 g/mol
LogP-0.11
Rot. Bonds4

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

N-methyl-3-[(3-methyl-4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 118678357) has the molecular formula C9H10N6O4 and a molecular weight of 266.22 g/mol. Its IUPAC name is N-methyl-3-[(3-methyl-4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-3-[(3-methyl-4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID118678357
Molecular FormulaC9H10N6O4
Molecular Weight266.22 g/mol
Exact Mass266.08
IUPAC NameN-methyl-3-[(3-methyl-4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCNC(=O)c1nc(Cn2cc([N+](=O)[O-])c(C)n2)no1
InChIInChI=1S/C9H10N6O4/c1-5-6(15(17)18)3-14(12-5)4-7-11-9(19-13-7)8(16)10-2/h3H,4H2,1-2H3,(H,10,16)
InChIKeyCXLVHDULLPKRJT-UHFFFAOYSA-N
XLogP-0.11
TPSA128.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 5-0.11
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'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(3-methyl-4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-methyl-3-[(3-methyl-4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide (CID 118678357) is N-methyl-3-[(3-methyl-4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-methyl-3-[(3-methyl-4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-methyl-3-[(3-methyl-4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide is CNC(=O)c1nc(Cn2cc([N+](=O)[O-])c(C)n2)no1.
What is the InChIKey of N-methyl-3-[(3-methyl-4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is CXLVHDULLPKRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O4/c1-5-6(15(17)18)3-14(12-5)4-7-11-9(19-13-7)8(16)10-2/h3H,4H2,1-2H3,(H,10,16).
What are the key properties of N-methyl-3-[(3-methyl-4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
N-methyl-3-[(3-methyl-4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 266.22 g/mol, XLogP of -0.11, 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-methyl-4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 118678357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).