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

C11H10FN3O3 — CID 172552791

IUPAC5-(2-fluoro-4-nitrophenoxy)-1,3-dimethylpyrazole
SMILESCc1cc(Oc2ccc([N+](=O)[O-])cc2F)n(C)n1
InChIInChI=1S/C11H10FN3O3/c1-7-5-11(14(2)13-7)18-10-4-3-8(15(16)17)6-9(10)12/h3-6H,1-2H3
InChIKeyAGDZNRDCNUXHDL-UHFFFAOYSA-N
MW251.22 g/mol
LogP2.57
Rot. Bonds3

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

5-(2-fluoro-4-nitrophenoxy)-1,3-dimethylpyrazole (PubChem CID 172552791) has the molecular formula C11H10FN3O3 and a molecular weight of 251.22 g/mol. Its IUPAC name is 5-(2-fluoro-4-nitrophenoxy)-1,3-dimethylpyrazole.

Molecular Properties

Compound Name5-(2-fluoro-4-nitrophenoxy)-1,3-dimethylpyrazole
PubChem CID172552791
Molecular FormulaC11H10FN3O3
Molecular Weight251.22 g/mol
Exact Mass251.07
IUPAC Name5-(2-fluoro-4-nitrophenoxy)-1,3-dimethylpyrazole
SMILESCc1cc(Oc2ccc([N+](=O)[O-])cc2F)n(C)n1
InChIInChI=1S/C11H10FN3O3/c1-7-5-11(14(2)13-7)18-10-4-3-8(15(16)17)6-9(10)12/h3-6H,1-2H3
InChIKeyAGDZNRDCNUXHDL-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
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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Related Compounds

4-nitro-1,3-dimethyl-5-phenoxy-1H-pyrazole
CID 1214828
1-[4-(2-fluorophenoxy)butyl]-3,5-dimethyl-1H-pyrazole oxalate
CID 2267340
5-(4-Fluorophenoxy)-1,3-dimethyl-4-nitropyrazole
CID 2807349
N-[2-(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)vinyl]-4-(trifluoromethoxy)aniline
CID 1473164
N-[(E)-2-(2,5-dimethyl-4-nitropyrazol-3-yl)ethenyl]-4-(trifluoromethoxy)aniline
CID 5523728
(NE)-N-[[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]methylidene]hydroxylamine
CID 13960175
(NE)-N-[[5-(4-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]methylidene]hydroxylamine
CID 13960176
4-Chloro-1-methyl-3-(3-methyl-4-nitrophenoxy)-5-(trifluoromethyl)pyrazole
CID 15017278
1H-Pyrazole, 4-chloro-1-methyl-3-(4-nitrophenoxy)-5-(trifluoromethyl)-
CID 15017297
3-(3-Methoxy-4-nitrophenoxy)-1,4-dimethyl-5-(trifluoromethyl)pyrazole
CID 15735342
5-Difluoromethyl-4-methyl-3-(3'-methoxy-4'-nitrophenoxy)-1-methylpyrazole
CID 15735343
3-(3-Fluoro-4-nitrophenyloxy)-5-methylpyrazole
CID 17862410

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-4-nitrophenoxy)-1,3-dimethylpyrazole?
The IUPAC name of 5-(2-fluoro-4-nitrophenoxy)-1,3-dimethylpyrazole (CID 172552791) is 5-(2-fluoro-4-nitrophenoxy)-1,3-dimethylpyrazole.
What is the SMILES notation for 5-(2-fluoro-4-nitrophenoxy)-1,3-dimethylpyrazole?
The canonical SMILES for 5-(2-fluoro-4-nitrophenoxy)-1,3-dimethylpyrazole is Cc1cc(Oc2ccc([N+](=O)[O-])cc2F)n(C)n1.
What is the InChIKey of 5-(2-fluoro-4-nitrophenoxy)-1,3-dimethylpyrazole?
The InChIKey is AGDZNRDCNUXHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O3/c1-7-5-11(14(2)13-7)18-10-4-3-8(15(16)17)6-9(10)12/h3-6H,1-2H3.
What are the key properties of 5-(2-fluoro-4-nitrophenoxy)-1,3-dimethylpyrazole?
5-(2-fluoro-4-nitrophenoxy)-1,3-dimethylpyrazole has a molecular weight of 251.22 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-4-nitrophenoxy)-1,3-dimethylpyrazole is sourced from PubChem (CID 172552791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).