4-fluoro-5-(2-methoxy-5-nitrophenyl)-1-methylpyrazole

C11H10FN3O3 — CID 23139430

IUPAC4-fluoro-5-(2-methoxy-5-nitrophenyl)-1-methylpyrazole
SMILESCOc1ccc([N+](=O)[O-])cc1-c1c(F)cnn1C
InChIInChI=1S/C11H10FN3O3/c1-14-11(9(12)6-13-14)8-5-7(15(16)17)3-4-10(8)18-2/h3-6H,1-2H3
InChIKeyWIVDOLSYSXVXNS-UHFFFAOYSA-N
MW251.22 g/mol
LogP2.14
Rot. Bonds3

About 4-fluoro-5-(2-methoxy-5-nitrophenyl)-1-methylpyrazole

4-fluoro-5-(2-methoxy-5-nitrophenyl)-1-methylpyrazole (PubChem CID 23139430) has the molecular formula C11H10FN3O3 and a molecular weight of 251.22 g/mol. Its IUPAC name is 4-fluoro-5-(2-methoxy-5-nitrophenyl)-1-methylpyrazole.

Molecular Properties

Compound Name4-fluoro-5-(2-methoxy-5-nitrophenyl)-1-methylpyrazole
PubChem CID23139430
Molecular FormulaC11H10FN3O3
Molecular Weight251.22 g/mol
Exact Mass251.07
IUPAC Name4-fluoro-5-(2-methoxy-5-nitrophenyl)-1-methylpyrazole
SMILESCOc1ccc([N+](=O)[O-])cc1-c1c(F)cnn1C
InChIInChI=1S/C11H10FN3O3/c1-14-11(9(12)6-13-14)8-5-7(15(16)17)3-4-10(8)18-2/h3-6H,1-2H3
InChIKeyWIVDOLSYSXVXNS-UHFFFAOYSA-N
XLogP2.14
TPSA70.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.22
LogP ≤ 52.14
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-fluoro-5-(2-methoxy-5-nitrophenyl)-1-methylpyrazole?
The IUPAC name of 4-fluoro-5-(2-methoxy-5-nitrophenyl)-1-methylpyrazole (CID 23139430) is 4-fluoro-5-(2-methoxy-5-nitrophenyl)-1-methylpyrazole.
What is the SMILES notation for 4-fluoro-5-(2-methoxy-5-nitrophenyl)-1-methylpyrazole?
The canonical SMILES for 4-fluoro-5-(2-methoxy-5-nitrophenyl)-1-methylpyrazole is COc1ccc([N+](=O)[O-])cc1-c1c(F)cnn1C.
What is the InChIKey of 4-fluoro-5-(2-methoxy-5-nitrophenyl)-1-methylpyrazole?
The InChIKey is WIVDOLSYSXVXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O3/c1-14-11(9(12)6-13-14)8-5-7(15(16)17)3-4-10(8)18-2/h3-6H,1-2H3.
What are the key properties of 4-fluoro-5-(2-methoxy-5-nitrophenyl)-1-methylpyrazole?
4-fluoro-5-(2-methoxy-5-nitrophenyl)-1-methylpyrazole has a molecular weight of 251.22 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-(2-methoxy-5-nitrophenyl)-1-methylpyrazole is sourced from PubChem (CID 23139430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).