1-(4,5-dimethoxy-2-nitrophenyl)pyrazole

C11H11N3O4 — CID 83008145

IUPAC1-(4,5-dimethoxy-2-nitrophenyl)pyrazole
SMILESCOc1cc(-n2cccn2)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C11H11N3O4/c1-17-10-6-8(13-5-3-4-12-13)9(14(15)16)7-11(10)18-2/h3-7H,1-2H3
InChIKeyLAGJYJZAAYBHKU-UHFFFAOYSA-N
MW249.23 g/mol
LogP1.80
Rot. Bonds4

About 1-(4,5-dimethoxy-2-nitrophenyl)pyrazole

1-(4,5-dimethoxy-2-nitrophenyl)pyrazole (PubChem CID 83008145) has the molecular formula C11H11N3O4 and a molecular weight of 249.23 g/mol. Its IUPAC name is 1-(4,5-dimethoxy-2-nitrophenyl)pyrazole.

Molecular Properties

Compound Name1-(4,5-dimethoxy-2-nitrophenyl)pyrazole
PubChem CID83008145
Molecular FormulaC11H11N3O4
Molecular Weight249.23 g/mol
Exact Mass249.07
IUPAC Name1-(4,5-dimethoxy-2-nitrophenyl)pyrazole
SMILESCOc1cc(-n2cccn2)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C11H11N3O4/c1-17-10-6-8(13-5-3-4-12-13)9(14(15)16)7-11(10)18-2/h3-7H,1-2H3
InChIKeyLAGJYJZAAYBHKU-UHFFFAOYSA-N
XLogP1.80
TPSA79.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 51.80
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'}

Analyze 1-(4,5-dimethoxy-2-nitrophenyl)pyrazole 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-(2-methoxy-3-nitrophenyl)pyrazole
CID 90135701
N-(3,4-dimethoxyphenyl)-3-nitro-4-pyrazol-1-ylbenzamide
CID 1473823
1-(4-bromo-5-fluoro-2-nitrophenyl)pyrazole
CID 66109556
1-(4,5-dimethoxy-2-nitrophenyl)pyrrolidine
CID 616606
5-nitro-6-pyrazol-1-yl-1H-indazole
CID 164801978
4-ethoxy-5-methoxy-2-nitro-N-(4-pyrazol-1-ylphenyl)benzamide
CID 31907819
4-bromo-1-(4,5-dimethoxy-2-nitrophenyl)-3,5-dimethylpyrazole
CID 83004087
(4-pyrazol-1-ylphenyl)methyl 4-ethoxy-5-methoxy-2-nitrobenzoate
CID 40765016
methyl 2-nitro-5-pyrazol-1-ylbenzoate
CID 58565081
1-(2-methyl-5-nitrophenyl)pyrazole
CID 175295716
5-methyl-4-nitro-2-pyrazol-1-ylpyridine
CID 83272029
1-(4,5-dimethoxy-2-nitrophenyl)imidazole-4-carboxylic acid
CID 83004258

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethoxy-2-nitrophenyl)pyrazole?
The IUPAC name of 1-(4,5-dimethoxy-2-nitrophenyl)pyrazole (CID 83008145) is 1-(4,5-dimethoxy-2-nitrophenyl)pyrazole.
What is the SMILES notation for 1-(4,5-dimethoxy-2-nitrophenyl)pyrazole?
The canonical SMILES for 1-(4,5-dimethoxy-2-nitrophenyl)pyrazole is COc1cc(-n2cccn2)c([N+](=O)[O-])cc1OC.
What is the InChIKey of 1-(4,5-dimethoxy-2-nitrophenyl)pyrazole?
The InChIKey is LAGJYJZAAYBHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4/c1-17-10-6-8(13-5-3-4-12-13)9(14(15)16)7-11(10)18-2/h3-7H,1-2H3.
What are the key properties of 1-(4,5-dimethoxy-2-nitrophenyl)pyrazole?
1-(4,5-dimethoxy-2-nitrophenyl)pyrazole has a molecular weight of 249.23 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethoxy-2-nitrophenyl)pyrazole is sourced from PubChem (CID 83008145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).