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

C11H9N5O2 — CID 63810217

IUPAC2-(3,5-dimethylpyrazol-1-yl)-5-nitropyridine-3-carbonitrile
SMILESCc1cc(C)n(-c2ncc([N+](=O)[O-])cc2C#N)n1
InChIInChI=1S/C11H9N5O2/c1-7-3-8(2)15(14-7)11-9(5-12)4-10(6-13-11)16(17)18/h3-4,6H,1-2H3
InChIKeyHTJFYFXTCCWEAA-UHFFFAOYSA-N
MW243.23 g/mol
LogP1.66
Rot. Bonds2

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

2-(3,5-dimethylpyrazol-1-yl)-5-nitropyridine-3-carbonitrile (PubChem CID 63810217) has the molecular formula C11H9N5O2 and a molecular weight of 243.23 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-5-nitropyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-5-nitropyridine-3-carbonitrile
PubChem CID63810217
Molecular FormulaC11H9N5O2
Molecular Weight243.23 g/mol
Exact Mass243.08
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-5-nitropyridine-3-carbonitrile
SMILESCc1cc(C)n(-c2ncc([N+](=O)[O-])cc2C#N)n1
InChIInChI=1S/C11H9N5O2/c1-7-3-8(2)15(14-7)11-9(5-12)4-10(6-13-11)16(17)18/h3-4,6H,1-2H3
InChIKeyHTJFYFXTCCWEAA-UHFFFAOYSA-N
XLogP1.66
TPSA97.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

2-(3,5-Dimethyl-1H-pyrazol-1-yl)-3-nitropyridine
CID 2740944
3-methyl-4-nitroso-1-(pyridin-2-yl)-1H-pyrazol-5-amine
CID 5138169
2-(5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3-methyl-2-pyridinyl)acetamide
CID 1257542
N-(4-methylpyridin-2-yl)-2-(4-nitro-1H-pyrazol-1-yl)acetamide
CID 1504355
4-N-[(E)-(2,5-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]-5-nitropyrimidine-4,6-diamine
CID 9680914
2-{4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}-N-(3-methyl-2-pyridinyl)acetamide
CID 742456
2-(3,5-dimethyl-4-propyl-1H-pyrazol-1-yl)-3-nitropyridine
CID 3749180
N-(2,5-dimethylpyrrol-1-yl)-N-methyl-5-nitropyridin-2-amine
CID 2805157
5-amino-4-methyl-1-(pyridin-3-yl)-1H-pyrazole-3-carbonitrile
CID 119031860
2-[3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl]-3-nitropyridine
CID 2740837
N-methyl-4-nitro-1-(2-pyridinyl)-1H-pyrazol-5-amine
CID 3822801
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide
CID 5011161

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-5-nitropyridine-3-carbonitrile?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-5-nitropyridine-3-carbonitrile (CID 63810217) is 2-(3,5-dimethylpyrazol-1-yl)-5-nitropyridine-3-carbonitrile.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-5-nitropyridine-3-carbonitrile?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-5-nitropyridine-3-carbonitrile is Cc1cc(C)n(-c2ncc([N+](=O)[O-])cc2C#N)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-5-nitropyridine-3-carbonitrile?
The InChIKey is HTJFYFXTCCWEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O2/c1-7-3-8(2)15(14-7)11-9(5-12)4-10(6-13-11)16(17)18/h3-4,6H,1-2H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-5-nitropyridine-3-carbonitrile?
2-(3,5-dimethylpyrazol-1-yl)-5-nitropyridine-3-carbonitrile has a molecular weight of 243.23 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-5-nitropyridine-3-carbonitrile is sourced from PubChem (CID 63810217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).