4-(2-methoxy-4-nitrophenyl)-1-methylpyrazole

C11H11N3O3 — CID 66860472

IUPAC4-(2-methoxy-4-nitrophenyl)-1-methylpyrazole
SMILESCOc1cc([N+](=O)[O-])ccc1-c1cnn(C)c1
InChIInChI=1S/C11H11N3O3/c1-13-7-8(6-12-13)10-4-3-9(14(15)16)5-11(10)17-2/h3-7H,1-2H3
InChIKeyUIVQSTHZEGSXEJ-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.00
Rot. Bonds3

About 4-(2-methoxy-4-nitrophenyl)-1-methylpyrazole

4-(2-methoxy-4-nitrophenyl)-1-methylpyrazole (PubChem CID 66860472) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 4-(2-methoxy-4-nitrophenyl)-1-methylpyrazole.

Molecular Properties

Compound Name4-(2-methoxy-4-nitrophenyl)-1-methylpyrazole
PubChem CID66860472
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name4-(2-methoxy-4-nitrophenyl)-1-methylpyrazole
SMILESCOc1cc([N+](=O)[O-])ccc1-c1cnn(C)c1
InChIInChI=1S/C11H11N3O3/c1-13-7-8(6-12-13)10-4-3-9(14(15)16)5-11(10)17-2/h3-7H,1-2H3
InChIKeyUIVQSTHZEGSXEJ-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 4-(2-methoxy-4-nitrophenyl)-1-methylpyrazole?
The IUPAC name of 4-(2-methoxy-4-nitrophenyl)-1-methylpyrazole (CID 66860472) is 4-(2-methoxy-4-nitrophenyl)-1-methylpyrazole.
What is the SMILES notation for 4-(2-methoxy-4-nitrophenyl)-1-methylpyrazole?
The canonical SMILES for 4-(2-methoxy-4-nitrophenyl)-1-methylpyrazole is COc1cc([N+](=O)[O-])ccc1-c1cnn(C)c1.
What is the InChIKey of 4-(2-methoxy-4-nitrophenyl)-1-methylpyrazole?
The InChIKey is UIVQSTHZEGSXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-13-7-8(6-12-13)10-4-3-9(14(15)16)5-11(10)17-2/h3-7H,1-2H3.
What are the key properties of 4-(2-methoxy-4-nitrophenyl)-1-methylpyrazole?
4-(2-methoxy-4-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 4-(2-methoxy-4-nitrophenyl)-1-methylpyrazole is sourced from PubChem (CID 66860472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).