5-methyl-4-nitro-2-pyrazol-1-ylpyridine

C9H8N4O2 — CID 83272029

IUPAC5-methyl-4-nitro-2-pyrazol-1-ylpyridine
SMILESCc1cnc(-n2cccn2)cc1[N+](=O)[O-]
InChIInChI=1S/C9H8N4O2/c1-7-6-10-9(5-8(7)13(14)15)12-4-2-3-11-12/h2-6H,1H3
InChIKeyGYBHCRWVYAEBKB-UHFFFAOYSA-N
MW204.19 g/mol
LogP1.48
Rot. Bonds2

About 5-methyl-4-nitro-2-pyrazol-1-ylpyridine

5-methyl-4-nitro-2-pyrazol-1-ylpyridine (PubChem CID 83272029) has the molecular formula C9H8N4O2 and a molecular weight of 204.19 g/mol. Its IUPAC name is 5-methyl-4-nitro-2-pyrazol-1-ylpyridine.

Molecular Properties

Compound Name5-methyl-4-nitro-2-pyrazol-1-ylpyridine
PubChem CID83272029
Molecular FormulaC9H8N4O2
Molecular Weight204.19 g/mol
Exact Mass204.06
IUPAC Name5-methyl-4-nitro-2-pyrazol-1-ylpyridine
SMILESCc1cnc(-n2cccn2)cc1[N+](=O)[O-]
InChIInChI=1S/C9H8N4O2/c1-7-6-10-9(5-8(7)13(14)15)12-4-2-3-11-12/h2-6H,1H3
InChIKeyGYBHCRWVYAEBKB-UHFFFAOYSA-N
XLogP1.48
TPSA73.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 51.48
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

4-methyl-3-nitro-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 34113168
1-(5-methyl-4-nitro-2-pyridinyl)pyrrole-2-carbonitrile
CID 114653217
4-methyl-2-(3-methylpyrazol-1-yl)-5-nitropyridine
CID 79175720
1-(2-methyl-5-nitrophenyl)pyrazole
CID 175295716
4-methyl-2-(3-methyl-1,2,4-triazol-1-yl)-5-nitropyridine
CID 166607488
4-[4-(4-methyl-3,5-dinitrophenyl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyrimidine
CID 121072515
[1-(5-methyl-4-nitro-2-pyridinyl)azetidin-3-yl]methanol
CID 83271569
1-(4,5-dimethoxy-2-nitrophenyl)pyrazole
CID 83008145
3-bromo-5-nitro-4-pyrazol-1-ylpyridine
CID 103519846
5-methyl-4-nitro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine
CID 83259903
4-methoxy-3-nitro-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide
CID 36618610
methanamine;1-(3-nitrofuran-2-yl)pyrazole
CID 70620262

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-nitro-2-pyrazol-1-ylpyridine?
The IUPAC name of 5-methyl-4-nitro-2-pyrazol-1-ylpyridine (CID 83272029) is 5-methyl-4-nitro-2-pyrazol-1-ylpyridine.
What is the SMILES notation for 5-methyl-4-nitro-2-pyrazol-1-ylpyridine?
The canonical SMILES for 5-methyl-4-nitro-2-pyrazol-1-ylpyridine is Cc1cnc(-n2cccn2)cc1[N+](=O)[O-].
What is the InChIKey of 5-methyl-4-nitro-2-pyrazol-1-ylpyridine?
The InChIKey is GYBHCRWVYAEBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2/c1-7-6-10-9(5-8(7)13(14)15)12-4-2-3-11-12/h2-6H,1H3.
What are the key properties of 5-methyl-4-nitro-2-pyrazol-1-ylpyridine?
5-methyl-4-nitro-2-pyrazol-1-ylpyridine has a molecular weight of 204.19 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-nitro-2-pyrazol-1-ylpyridine is sourced from PubChem (CID 83272029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).