5-(3-fluoro-5-nitrophenoxy)-1-methyl-3-(trifluoromethyl)pyrazole

C11H7F4N3O3 — CID 69359936

IUPAC5-(3-fluoro-5-nitrophenoxy)-1-methyl-3-(trifluoromethyl)pyrazole
SMILESCn1nc(C(F)(F)F)cc1Oc1cc(F)cc([N+](=O)[O-])c1
InChIInChI=1S/C11H7F4N3O3/c1-17-10(5-9(16-17)11(13,14)15)21-8-3-6(12)2-7(4-8)18(19)20/h2-5H,1H3
InChIKeyXUKRQVOOORCOMW-UHFFFAOYSA-N
MW305.19 g/mol
LogP3.28
Rot. Bonds3

About 5-(3-fluoro-5-nitrophenoxy)-1-methyl-3-(trifluoromethyl)pyrazole

5-(3-fluoro-5-nitrophenoxy)-1-methyl-3-(trifluoromethyl)pyrazole (PubChem CID 69359936) has the molecular formula C11H7F4N3O3 and a molecular weight of 305.19 g/mol. Its IUPAC name is 5-(3-fluoro-5-nitrophenoxy)-1-methyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-(3-fluoro-5-nitrophenoxy)-1-methyl-3-(trifluoromethyl)pyrazole
PubChem CID69359936
Molecular FormulaC11H7F4N3O3
Molecular Weight305.19 g/mol
Exact Mass305.04
IUPAC Name5-(3-fluoro-5-nitrophenoxy)-1-methyl-3-(trifluoromethyl)pyrazole
SMILESCn1nc(C(F)(F)F)cc1Oc1cc(F)cc([N+](=O)[O-])c1
InChIInChI=1S/C11H7F4N3O3/c1-17-10(5-9(16-17)11(13,14)15)21-8-3-6(12)2-7(4-8)18(19)20/h2-5H,1H3
InChIKeyXUKRQVOOORCOMW-UHFFFAOYSA-N
XLogP3.28
TPSA70.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.19
LogP ≤ 53.28
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

5-(4-Fluorophenoxy)-1,3-dimethyl-4-nitropyrazole
CID 2807349
1H-Pyrazole, 4-chloro-1-methyl-3-(4-nitrophenoxy)-5-(trifluoromethyl)-
CID 15017297
4-(4-chloro-1-methyl-5-trifluoromethyl-1H-pyrazol-3-yloxy)-o-dinitrobenzene
CID 19775926
4-(4-bromo-1-methyl-5-trifluoromethyl-1H-pyrazol-3-yloxy)-o-dinitrobenzene
CID 19775929
4-(1-methyl-5-trifluoromethyl-1H-pyrazol-3-yloxy)-o-dinitrobenzene
CID 19775930
4-(1-methyl-5-trifluoromethyl-1H-pyrazol-3-yloxy)-o-phenylenediamine
CID 19775932
5-(1-methyl-5-trifluoromethyl-1H-pyrazol-3-yloxy)-2-nitroaniline
CID 19775936
5-Methyl1-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]oxy-2-nitrobenzene
CID 21464836
5-(4-Fluorophenoxy)-1,3-dimethylpyrazole
CID 21645987
1-Methyl-5-phenoxy-3-(trifluoromethyl)pyrazole
CID 53441473
3-[3-[(2,5-dimethyl-1H-pyrazol-2-ium-3-yl)oxy]-5-nitrophenoxy]-1-methyl-5-(trifluoromethyl)pyrazole
CID 58723045
5-(2,6-Difluoro-4-nitrophenoxy)-1,3-dimethyl-4-(2,4,6-trifluorophenyl)-1H-pyrazole
CID 67135491

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-5-nitrophenoxy)-1-methyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 5-(3-fluoro-5-nitrophenoxy)-1-methyl-3-(trifluoromethyl)pyrazole (CID 69359936) is 5-(3-fluoro-5-nitrophenoxy)-1-methyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-(3-fluoro-5-nitrophenoxy)-1-methyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-(3-fluoro-5-nitrophenoxy)-1-methyl-3-(trifluoromethyl)pyrazole is Cn1nc(C(F)(F)F)cc1Oc1cc(F)cc([N+](=O)[O-])c1.
What is the InChIKey of 5-(3-fluoro-5-nitrophenoxy)-1-methyl-3-(trifluoromethyl)pyrazole?
The InChIKey is XUKRQVOOORCOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F4N3O3/c1-17-10(5-9(16-17)11(13,14)15)21-8-3-6(12)2-7(4-8)18(19)20/h2-5H,1H3.
What are the key properties of 5-(3-fluoro-5-nitrophenoxy)-1-methyl-3-(trifluoromethyl)pyrazole?
5-(3-fluoro-5-nitrophenoxy)-1-methyl-3-(trifluoromethyl)pyrazole has a molecular weight of 305.19 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-5-nitrophenoxy)-1-methyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 69359936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).