1-(2-fluoro-4-nitrophenyl)-3,5-dimethylpyrazole

C11H10FN3O2 — CID 55240750

IUPAC1-(2-fluoro-4-nitrophenyl)-3,5-dimethylpyrazole
SMILESCc1cc(C)n(-c2ccc([N+](=O)[O-])cc2F)n1
InChIInChI=1S/C11H10FN3O2/c1-7-5-8(2)14(13-7)11-4-3-9(15(16)17)6-10(11)12/h3-6H,1-2H3
InChIKeyGDIXVQJNTISAKU-UHFFFAOYSA-N
MW235.22 g/mol
LogP2.54
Rot. Bonds2

About 1-(2-fluoro-4-nitrophenyl)-3,5-dimethylpyrazole

1-(2-fluoro-4-nitrophenyl)-3,5-dimethylpyrazole (PubChem CID 55240750) has the molecular formula C11H10FN3O2 and a molecular weight of 235.22 g/mol. Its IUPAC name is 1-(2-fluoro-4-nitrophenyl)-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-(2-fluoro-4-nitrophenyl)-3,5-dimethylpyrazole
PubChem CID55240750
Molecular FormulaC11H10FN3O2
Molecular Weight235.22 g/mol
Exact Mass235.08
IUPAC Name1-(2-fluoro-4-nitrophenyl)-3,5-dimethylpyrazole
SMILESCc1cc(C)n(-c2ccc([N+](=O)[O-])cc2F)n1
InChIInChI=1S/C11H10FN3O2/c1-7-5-8(2)14(13-7)11-4-3-9(15(16)17)6-10(11)12/h3-6H,1-2H3
InChIKeyGDIXVQJNTISAKU-UHFFFAOYSA-N
XLogP2.54
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 1-(2-fluoro-4-nitrophenyl)-3,5-dimethylpyrazole?
The IUPAC name of 1-(2-fluoro-4-nitrophenyl)-3,5-dimethylpyrazole (CID 55240750) is 1-(2-fluoro-4-nitrophenyl)-3,5-dimethylpyrazole.
What is the SMILES notation for 1-(2-fluoro-4-nitrophenyl)-3,5-dimethylpyrazole?
The canonical SMILES for 1-(2-fluoro-4-nitrophenyl)-3,5-dimethylpyrazole is Cc1cc(C)n(-c2ccc([N+](=O)[O-])cc2F)n1.
What is the InChIKey of 1-(2-fluoro-4-nitrophenyl)-3,5-dimethylpyrazole?
The InChIKey is GDIXVQJNTISAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2/c1-7-5-8(2)14(13-7)11-4-3-9(15(16)17)6-10(11)12/h3-6H,1-2H3.
What are the key properties of 1-(2-fluoro-4-nitrophenyl)-3,5-dimethylpyrazole?
1-(2-fluoro-4-nitrophenyl)-3,5-dimethylpyrazole has a molecular weight of 235.22 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-nitrophenyl)-3,5-dimethylpyrazole is sourced from PubChem (CID 55240750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).