2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(6-methoxy-3-pyridinyl)acetamide

C13H15N5O4 — CID 3336937

IUPAC2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(6-methoxy-3-pyridinyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)cn1
InChIInChI=1S/C13H15N5O4/c1-8-13(18(20)21)9(2)17(16-8)7-11(19)15-10-4-5-12(22-3)14-6-10/h4-6H,7H2,1-3H3,(H,15,19)
InChIKeyDXPHVMRYYSCEDF-UHFFFAOYSA-N
MW305.29 g/mol
LogP1.45
Rot. Bonds5

About 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(6-methoxy-3-pyridinyl)acetamide

2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(6-methoxy-3-pyridinyl)acetamide (PubChem CID 3336937) has the molecular formula C13H15N5O4 and a molecular weight of 305.29 g/mol. Its IUPAC name is 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(6-methoxy-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(6-methoxy-3-pyridinyl)acetamide
PubChem CID3336937
Molecular FormulaC13H15N5O4
Molecular Weight305.29 g/mol
Exact Mass305.11
IUPAC Name2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(6-methoxy-3-pyridinyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)cn1
InChIInChI=1S/C13H15N5O4/c1-8-13(18(20)21)9(2)17(16-8)7-11(19)15-10-4-5-12(22-3)14-6-10/h4-6H,7H2,1-3H3,(H,15,19)
InChIKeyDXPHVMRYYSCEDF-UHFFFAOYSA-N
XLogP1.45
TPSA112.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(6-methoxy-3-pyridinyl)acetamide?
The IUPAC name of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(6-methoxy-3-pyridinyl)acetamide (CID 3336937) is 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(6-methoxy-3-pyridinyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(6-methoxy-3-pyridinyl)acetamide?
The canonical SMILES for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(6-methoxy-3-pyridinyl)acetamide is COc1ccc(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)cn1.
What is the InChIKey of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(6-methoxy-3-pyridinyl)acetamide?
The InChIKey is DXPHVMRYYSCEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O4/c1-8-13(18(20)21)9(2)17(16-8)7-11(19)15-10-4-5-12(22-3)14-6-10/h4-6H,7H2,1-3H3,(H,15,19).
What are the key properties of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(6-methoxy-3-pyridinyl)acetamide?
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(6-methoxy-3-pyridinyl)acetamide has a molecular weight of 305.29 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(6-methoxy-3-pyridinyl)acetamide is sourced from PubChem (CID 3336937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).