5-(2-methoxy-3-nitrophenyl)-1-methylpyrazole

C11H11N3O3 — CID 90154020

IUPAC5-(2-methoxy-3-nitrophenyl)-1-methylpyrazole
SMILESCOc1c(-c2ccnn2C)cccc1[N+](=O)[O-]
InChIInChI=1S/C11H11N3O3/c1-13-9(6-7-12-13)8-4-3-5-10(14(15)16)11(8)17-2/h3-7H,1-2H3
InChIKeyJTCRAFVNZFOXLU-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.00
Rot. Bonds3

About 5-(2-methoxy-3-nitrophenyl)-1-methylpyrazole

5-(2-methoxy-3-nitrophenyl)-1-methylpyrazole (PubChem CID 90154020) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 5-(2-methoxy-3-nitrophenyl)-1-methylpyrazole.

Molecular Properties

Compound Name5-(2-methoxy-3-nitrophenyl)-1-methylpyrazole
PubChem CID90154020
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name5-(2-methoxy-3-nitrophenyl)-1-methylpyrazole
SMILESCOc1c(-c2ccnn2C)cccc1[N+](=O)[O-]
InChIInChI=1S/C11H11N3O3/c1-13-9(6-7-12-13)8-4-3-5-10(14(15)16)11(8)17-2/h3-7H,1-2H3
InChIKeyJTCRAFVNZFOXLU-UHFFFAOYSA-N
XLogP2.00
TPSA70.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.00
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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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-3-nitrophenyl)-1-methylpyrazole?
The IUPAC name of 5-(2-methoxy-3-nitrophenyl)-1-methylpyrazole (CID 90154020) is 5-(2-methoxy-3-nitrophenyl)-1-methylpyrazole.
What is the SMILES notation for 5-(2-methoxy-3-nitrophenyl)-1-methylpyrazole?
The canonical SMILES for 5-(2-methoxy-3-nitrophenyl)-1-methylpyrazole is COc1c(-c2ccnn2C)cccc1[N+](=O)[O-].
What is the InChIKey of 5-(2-methoxy-3-nitrophenyl)-1-methylpyrazole?
The InChIKey is JTCRAFVNZFOXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-13-9(6-7-12-13)8-4-3-5-10(14(15)16)11(8)17-2/h3-7H,1-2H3.
What are the key properties of 5-(2-methoxy-3-nitrophenyl)-1-methylpyrazole?
5-(2-methoxy-3-nitrophenyl)-1-methylpyrazole has a molecular weight of 233.23 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-3-nitrophenyl)-1-methylpyrazole is sourced from PubChem (CID 90154020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).