5-ethyl-1-methyl-4-nitropyrazole

C6H9N3O2 — CID 154882110

IUPAC5-ethyl-1-methyl-4-nitropyrazole
SMILESCCc1c([N+](=O)[O-])cnn1C
InChIInChI=1S/C6H9N3O2/c1-3-5-6(9(10)11)4-7-8(5)2/h4H,3H2,1-2H3
InChIKeyUOXRIOWCTOGDGF-UHFFFAOYSA-N
MW155.16 g/mol
LogP0.89
Rot. Bonds2

About 5-ethyl-1-methyl-4-nitropyrazole

5-ethyl-1-methyl-4-nitropyrazole (PubChem CID 154882110) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 5-ethyl-1-methyl-4-nitropyrazole.

Molecular Properties

Compound Name5-ethyl-1-methyl-4-nitropyrazole
PubChem CID154882110
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name5-ethyl-1-methyl-4-nitropyrazole
SMILESCCc1c([N+](=O)[O-])cnn1C
InChIInChI=1S/C6H9N3O2/c1-3-5-6(9(10)11)4-7-8(5)2/h4H,3H2,1-2H3
InChIKeyUOXRIOWCTOGDGF-UHFFFAOYSA-N
XLogP0.89
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

1-methyl-5-(3-methylbutyl)-4-nitropyrazole
CID 153281711
1-(cyclopropylmethyl)-5-ethyl-4-nitropyrazole
CID 139947434
methyl 2-(1-methyl-4-nitropyrazol-5-yl)acetate
CID 86713803
5-(benzenesulfonylmethyl)-1-methyl-4-nitropyrazole
CID 102396034
1-methyl-4-nitro-5-propan-2-ylpyrazole
CID 83381679
1-methyl-5-methylsulfonyl-4-nitropyrazole
CID 105457047
4-nitro-1-propylpyrazol-5-amine;1-propylpyrazole-4,5-diamine
CID 160635766
5-ethyl-4-nitro-1-(oxan-2-yl)pyrazole
CID 126503350
2-[(5-ethyl-4-nitropyrazol-1-yl)methyl]pyridine
CID 139912436
ethyl 5-amino-4-nitropyrazole-1-carboxylate
CID 171982552
2-amino-1-(1-methyl-4-nitropyrazol-5-yl)ethanol
CID 83443085
5-(1-methyl-4-nitropyrazol-5-yl)pyrimidine
CID 102336741

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-methyl-4-nitropyrazole?
The IUPAC name of 5-ethyl-1-methyl-4-nitropyrazole (CID 154882110) is 5-ethyl-1-methyl-4-nitropyrazole.
What is the SMILES notation for 5-ethyl-1-methyl-4-nitropyrazole?
The canonical SMILES for 5-ethyl-1-methyl-4-nitropyrazole is CCc1c([N+](=O)[O-])cnn1C.
What is the InChIKey of 5-ethyl-1-methyl-4-nitropyrazole?
The InChIKey is UOXRIOWCTOGDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-3-5-6(9(10)11)4-7-8(5)2/h4H,3H2,1-2H3.
What are the key properties of 5-ethyl-1-methyl-4-nitropyrazole?
5-ethyl-1-methyl-4-nitropyrazole has a molecular weight of 155.16 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-methyl-4-nitropyrazole is sourced from PubChem (CID 154882110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).