1-ethyl-3-methoxy-4-nitropyrazole

C6H9N3O3 — CID 163333241

IUPAC1-ethyl-3-methoxy-4-nitropyrazole
SMILESCCn1cc([N+](=O)[O-])c(OC)n1
InChIInChI=1S/C6H9N3O3/c1-3-8-4-5(9(10)11)6(7-8)12-2/h4H,3H2,1-2H3
InChIKeyUQVGRZJNQNIIGX-UHFFFAOYSA-N
MW171.16 g/mol
LogP0.82
Rot. Bonds3

About 1-ethyl-3-methoxy-4-nitropyrazole

1-ethyl-3-methoxy-4-nitropyrazole (PubChem CID 163333241) has the molecular formula C6H9N3O3 and a molecular weight of 171.16 g/mol. Its IUPAC name is 1-ethyl-3-methoxy-4-nitropyrazole.

Molecular Properties

Compound Name1-ethyl-3-methoxy-4-nitropyrazole
PubChem CID163333241
Molecular FormulaC6H9N3O3
Molecular Weight171.16 g/mol
Exact Mass171.06
IUPAC Name1-ethyl-3-methoxy-4-nitropyrazole
SMILESCCn1cc([N+](=O)[O-])c(OC)n1
InChIInChI=1S/C6H9N3O3/c1-3-8-4-5(9(10)11)6(7-8)12-2/h4H,3H2,1-2H3
InChIKeyUQVGRZJNQNIIGX-UHFFFAOYSA-N
XLogP0.82
TPSA70.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 50.82
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 1-ethyl-3-methoxy-4-nitropyrazole with MolForge

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

Launch Full Analysis

Related Compounds

1-ethyl-4-nitropyrazole-3-carbaldehyde
CID 126544083
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3-(3-methoxy-4-nitropyrazol-1-yl)-N-methylpropanamide
CID 19558434
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-3-(3-methoxy-4-nitropyrazol-1-yl)-N-methylpropanamide
CID 19558433
2-(3-methoxy-4-nitropyrazol-1-yl)-N-propan-2-ylacetamide
CID 19516269
3-(3-methoxy-4-nitropyrazol-1-yl)propanehydrazide
CID 7018447
3-(3-methoxy-4-nitropyrazol-1-yl)-N-propan-2-ylpropanamide
CID 19558098
2-(3-methoxy-4-nitropyrazol-1-yl)-N-prop-2-enylacetamide
CID 19516177
2-(3-methoxy-4-nitropyrazol-1-yl)-N-(2-nitrophenyl)acetamide
CID 19516309
1-ethyl-4-nitro-3-(trifluoromethyl)pyrazole
CID 97182144
2-(3-methoxy-4-nitropyrazol-1-yl)-N-(4-methyl-3,5-dinitrophenyl)acetamide
CID 19516344
4-[(3-methoxy-4-nitropyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxylic acid
CID 19623178
2-(3-methoxy-4-nitropyrazol-1-yl)-N-(4-methyl-2-nitrophenyl)acetamide
CID 19516200

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methoxy-4-nitropyrazole?
The IUPAC name of 1-ethyl-3-methoxy-4-nitropyrazole (CID 163333241) is 1-ethyl-3-methoxy-4-nitropyrazole.
What is the SMILES notation for 1-ethyl-3-methoxy-4-nitropyrazole?
The canonical SMILES for 1-ethyl-3-methoxy-4-nitropyrazole is CCn1cc([N+](=O)[O-])c(OC)n1.
What is the InChIKey of 1-ethyl-3-methoxy-4-nitropyrazole?
The InChIKey is UQVGRZJNQNIIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O3/c1-3-8-4-5(9(10)11)6(7-8)12-2/h4H,3H2,1-2H3.
What are the key properties of 1-ethyl-3-methoxy-4-nitropyrazole?
1-ethyl-3-methoxy-4-nitropyrazole has a molecular weight of 171.16 g/mol, XLogP of 0.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methoxy-4-nitropyrazole is sourced from PubChem (CID 163333241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).