2-(3,5-dimethylpyrazol-1-yl)-3-nitropyridine

C10H10N4O2 — CID 2740944

IUPAC2-(3,5-dimethylpyrazol-1-yl)-3-nitropyridine
SMILESCc1cc(C)n(-c2ncccc2[N+](=O)[O-])n1
InChIInChI=1S/C10H10N4O2/c1-7-6-8(2)13(12-7)10-9(14(15)16)4-3-5-11-10/h3-6H,1-2H3
InChIKeyWHYUYNMOCOSTEO-UHFFFAOYSA-N
MW218.22 g/mol
LogP1.79
Rot. Bonds2

About 2-(3,5-dimethylpyrazol-1-yl)-3-nitropyridine

2-(3,5-dimethylpyrazol-1-yl)-3-nitropyridine (PubChem CID 2740944) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-3-nitropyridine.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-3-nitropyridine
PubChem CID2740944
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-3-nitropyridine
SMILESCc1cc(C)n(-c2ncccc2[N+](=O)[O-])n1
InChIInChI=1S/C10H10N4O2/c1-7-6-8(2)13(12-7)10-9(14(15)16)4-3-5-11-10/h3-6H,1-2H3
InChIKeyWHYUYNMOCOSTEO-UHFFFAOYSA-N
XLogP1.79
TPSA73.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(3,5-dimethylpyrazol-1-yl)-3-nitropyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-3-nitropyridine?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-3-nitropyridine (CID 2740944) is 2-(3,5-dimethylpyrazol-1-yl)-3-nitropyridine.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-3-nitropyridine?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-3-nitropyridine is Cc1cc(C)n(-c2ncccc2[N+](=O)[O-])n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-3-nitropyridine?
The InChIKey is WHYUYNMOCOSTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-7-6-8(2)13(12-7)10-9(14(15)16)4-3-5-11-10/h3-6H,1-2H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-3-nitropyridine?
2-(3,5-dimethylpyrazol-1-yl)-3-nitropyridine has a molecular weight of 218.22 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-3-nitropyridine is sourced from PubChem (CID 2740944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).