2-(4-nitro-1-propan-2-ylpyrazol-3-yl)pyridine

C11H12N4O2 — CID 134450371

IUPAC2-(4-nitro-1-propan-2-ylpyrazol-3-yl)pyridine
SMILESCC(C)n1cc([N+](=O)[O-])c(-c2ccccn2)n1
InChIInChI=1S/C11H12N4O2/c1-8(2)14-7-10(15(16)17)11(13-14)9-5-3-4-6-12-9/h3-8H,1-2H3
InChIKeyZAACCUDXIQXAFN-UHFFFAOYSA-N
MW232.24 g/mol
LogP2.43
Rot. Bonds3

About 2-(4-nitro-1-propan-2-ylpyrazol-3-yl)pyridine

2-(4-nitro-1-propan-2-ylpyrazol-3-yl)pyridine (PubChem CID 134450371) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-(4-nitro-1-propan-2-ylpyrazol-3-yl)pyridine.

Molecular Properties

Compound Name2-(4-nitro-1-propan-2-ylpyrazol-3-yl)pyridine
PubChem CID134450371
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name2-(4-nitro-1-propan-2-ylpyrazol-3-yl)pyridine
SMILESCC(C)n1cc([N+](=O)[O-])c(-c2ccccn2)n1
InChIInChI=1S/C11H12N4O2/c1-8(2)14-7-10(15(16)17)11(13-14)9-5-3-4-6-12-9/h3-8H,1-2H3
InChIKeyZAACCUDXIQXAFN-UHFFFAOYSA-N
XLogP2.43
TPSA73.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 52.43
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'}

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Related Compounds

3,4-dinitro-1-propan-2-ylpyrazole
CID 86207912
2-(1-cyclohexyl-4-nitropyrazol-3-yl)pyridine;ethanol
CID 145176619
2-[1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-nitropyrazol-3-yl]pyridine
CID 122638524
4-nitro-1-propan-2-ylpyrazole-3-carboxylic acid
CID 66509573
nickel(2+);2-pyridin-2-ylpyridine;nitrate
CID 22572268
2-(3-nitro-2-pyridinyl)-3-pyridin-2-ylpyridine
CID 162355373
copper;2-pyridin-2-ylpyridine;dinitrate;trihydrate
CID 173290754
N-[(2S)-butan-2-yl]-4-nitro-1-propan-2-ylpyrazol-3-amine
CID 97182074
2-nitro-5-pyridin-2-ylaniline
CID 89158283
1-(1-cyclopropylethyl)-3-pyridin-2-ylpyrazol-4-amine
CID 83217482
4-nitro-1-(1-phenylethyl)pyrazole-3-carboxylic acid
CID 107345520
3-nitro-5-pyridin-2-ylpyridin-2-amine
CID 20556183

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitro-1-propan-2-ylpyrazol-3-yl)pyridine?
The IUPAC name of 2-(4-nitro-1-propan-2-ylpyrazol-3-yl)pyridine (CID 134450371) is 2-(4-nitro-1-propan-2-ylpyrazol-3-yl)pyridine.
What is the SMILES notation for 2-(4-nitro-1-propan-2-ylpyrazol-3-yl)pyridine?
The canonical SMILES for 2-(4-nitro-1-propan-2-ylpyrazol-3-yl)pyridine is CC(C)n1cc([N+](=O)[O-])c(-c2ccccn2)n1.
What is the InChIKey of 2-(4-nitro-1-propan-2-ylpyrazol-3-yl)pyridine?
The InChIKey is ZAACCUDXIQXAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-8(2)14-7-10(15(16)17)11(13-14)9-5-3-4-6-12-9/h3-8H,1-2H3.
What are the key properties of 2-(4-nitro-1-propan-2-ylpyrazol-3-yl)pyridine?
2-(4-nitro-1-propan-2-ylpyrazol-3-yl)pyridine has a molecular weight of 232.24 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitro-1-propan-2-ylpyrazol-3-yl)pyridine is sourced from PubChem (CID 134450371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).