2-(2,5-dimethylpyrazol-3-yl)oxy-3-fluorobenzoic acid

C12H11FN2O3 — CID 81342191

IUPAC2-(2,5-dimethylpyrazol-3-yl)oxy-3-fluorobenzoic acid
SMILESCc1cc(Oc2c(F)cccc2C(=O)O)n(C)n1
InChIInChI=1S/C12H11FN2O3/c1-7-6-10(15(2)14-7)18-11-8(12(16)17)4-3-5-9(11)13/h3-6H,1-2H3,(H,16,17)
InChIKeyBEUOZABATLAOKT-UHFFFAOYSA-N
MW250.23 g/mol
LogP2.36
Rot. Bonds3

About 2-(2,5-dimethylpyrazol-3-yl)oxy-3-fluorobenzoic acid

2-(2,5-dimethylpyrazol-3-yl)oxy-3-fluorobenzoic acid (PubChem CID 81342191) has the molecular formula C12H11FN2O3 and a molecular weight of 250.23 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrazol-3-yl)oxy-3-fluorobenzoic acid.

Molecular Properties

Compound Name2-(2,5-dimethylpyrazol-3-yl)oxy-3-fluorobenzoic acid
PubChem CID81342191
Molecular FormulaC12H11FN2O3
Molecular Weight250.23 g/mol
Exact Mass250.08
IUPAC Name2-(2,5-dimethylpyrazol-3-yl)oxy-3-fluorobenzoic acid
SMILESCc1cc(Oc2c(F)cccc2C(=O)O)n(C)n1
InChIInChI=1S/C12H11FN2O3/c1-7-6-10(15(2)14-7)18-11-8(12(16)17)4-3-5-9(11)13/h3-6H,1-2H3,(H,16,17)
InChIKeyBEUOZABATLAOKT-UHFFFAOYSA-N
XLogP2.36
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-(2,5-dimethylpyrazol-3-yl)oxy-4-fluorobenzoic acid
CID 81345916
2-(2,5-dimethylpyrazol-3-yl)oxypyridine-3-carboxylic acid
CID 81342189
4-(2,5-dimethylpyrazol-3-yl)oxy-3-fluorobenzoic acid
CID 81346868
3-fluoro-2-(3-methylphenoxy)benzoic acid
CID 55101471
2-amino-5-(2,5-dimethylpyrazol-3-yl)oxybenzoic acid
CID 81346605
3-fluoro-2-(4-methylphenoxy)benzoic acid
CID 62650788
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-3-fluorobenzoic acid
CID 103174512
2-(3,4-dichlorophenoxy)-3-fluorobenzoic acid
CID 55101715
3-fluoro-2-(2-propan-2-ylphenoxy)benzoic acid
CID 62650459
N-(2,5-dimethylpyrazol-3-yl)-2,3-difluorobenzamide
CID 62650484
2-amino-5-(2,5-dimethylpyrazol-3-yl)oxypyridine-4-carboxylic acid
CID 114195702
5-(2,5-dimethylpyrazol-3-yl)oxypyridine-2-carboxylic acid
CID 115491170

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)oxy-3-fluorobenzoic acid?
The IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)oxy-3-fluorobenzoic acid (CID 81342191) is 2-(2,5-dimethylpyrazol-3-yl)oxy-3-fluorobenzoic acid.
What is the SMILES notation for 2-(2,5-dimethylpyrazol-3-yl)oxy-3-fluorobenzoic acid?
The canonical SMILES for 2-(2,5-dimethylpyrazol-3-yl)oxy-3-fluorobenzoic acid is Cc1cc(Oc2c(F)cccc2C(=O)O)n(C)n1.
What is the InChIKey of 2-(2,5-dimethylpyrazol-3-yl)oxy-3-fluorobenzoic acid?
The InChIKey is BEUOZABATLAOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3/c1-7-6-10(15(2)14-7)18-11-8(12(16)17)4-3-5-9(11)13/h3-6H,1-2H3,(H,16,17).
What are the key properties of 2-(2,5-dimethylpyrazol-3-yl)oxy-3-fluorobenzoic acid?
2-(2,5-dimethylpyrazol-3-yl)oxy-3-fluorobenzoic acid has a molecular weight of 250.23 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrazol-3-yl)oxy-3-fluorobenzoic acid is sourced from PubChem (CID 81342191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).