4-(2,5-dimethylpyrazol-3-yl)oxy-3-fluorobenzoic acid

C12H11FN2O3 — CID 81346868

IUPAC4-(2,5-dimethylpyrazol-3-yl)oxy-3-fluorobenzoic acid
SMILESCc1cc(Oc2ccc(C(=O)O)cc2F)n(C)n1
InChIInChI=1S/C12H11FN2O3/c1-7-5-11(15(2)14-7)18-10-4-3-8(12(16)17)6-9(10)13/h3-6H,1-2H3,(H,16,17)
InChIKeyOVSKIPHREPWPCS-UHFFFAOYSA-N
MW250.23 g/mol
LogP2.36
Rot. Bonds3

About 4-(2,5-dimethylpyrazol-3-yl)oxy-3-fluorobenzoic acid

4-(2,5-dimethylpyrazol-3-yl)oxy-3-fluorobenzoic acid (PubChem CID 81346868) has the molecular formula C12H11FN2O3 and a molecular weight of 250.23 g/mol. Its IUPAC name is 4-(2,5-dimethylpyrazol-3-yl)oxy-3-fluorobenzoic acid.

Molecular Properties

Compound Name4-(2,5-dimethylpyrazol-3-yl)oxy-3-fluorobenzoic acid
PubChem CID81346868
Molecular FormulaC12H11FN2O3
Molecular Weight250.23 g/mol
Exact Mass250.08
IUPAC Name4-(2,5-dimethylpyrazol-3-yl)oxy-3-fluorobenzoic acid
SMILESCc1cc(Oc2ccc(C(=O)O)cc2F)n(C)n1
InChIInChI=1S/C12H11FN2O3/c1-7-5-11(15(2)14-7)18-10-4-3-8(12(16)17)6-9(10)13/h3-6H,1-2H3,(H,16,17)
InChIKeyOVSKIPHREPWPCS-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

3-amino-4-(2,5-dimethylpyrazol-3-yl)oxybenzoic acid
CID 81346768
2-amino-5-(2,5-dimethylpyrazol-3-yl)oxy-4-fluorobenzoic acid
CID 81345916
4-(2,5-dimethylpyrazol-3-yl)sulfanyl-3-fluorobenzoic acid
CID 62701290
2-(2,5-dimethylpyrazol-3-yl)oxy-3-fluorobenzoic acid
CID 81342191
ethyl 3-amino-4-(2,5-dimethylpyrazol-3-yl)oxybenzoate
CID 81346379
3-fluoro-4-(2-methoxy-4-methylphenoxy)benzoic acid
CID 28604637
4-amino-3-(2,5-dimethylpyrazol-3-yl)oxy-N-methylbenzamide
CID 81342274
3-chloro-4-(2,5-dimethylpyrazol-3-yl)oxybenzenecarbothioamide
CID 81345906
2-amino-5-(2,5-dimethylpyrazol-3-yl)oxypyridine-4-carboxylic acid
CID 114195702
3-fluoro-4-(4-hydroxyphenoxy)benzoic acid
CID 165360541
5-(2,5-dimethylpyrazol-3-yl)oxypyridine-2-carboxylic acid
CID 115491170
2-amino-5-(2,5-dimethylpyrazol-3-yl)oxybenzoic acid
CID 81346605

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylpyrazol-3-yl)oxy-3-fluorobenzoic acid?
The IUPAC name of 4-(2,5-dimethylpyrazol-3-yl)oxy-3-fluorobenzoic acid (CID 81346868) is 4-(2,5-dimethylpyrazol-3-yl)oxy-3-fluorobenzoic acid.
What is the SMILES notation for 4-(2,5-dimethylpyrazol-3-yl)oxy-3-fluorobenzoic acid?
The canonical SMILES for 4-(2,5-dimethylpyrazol-3-yl)oxy-3-fluorobenzoic acid is Cc1cc(Oc2ccc(C(=O)O)cc2F)n(C)n1.
What is the InChIKey of 4-(2,5-dimethylpyrazol-3-yl)oxy-3-fluorobenzoic acid?
The InChIKey is OVSKIPHREPWPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3/c1-7-5-11(15(2)14-7)18-10-4-3-8(12(16)17)6-9(10)13/h3-6H,1-2H3,(H,16,17).
What are the key properties of 4-(2,5-dimethylpyrazol-3-yl)oxy-3-fluorobenzoic acid?
4-(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 4-(2,5-dimethylpyrazol-3-yl)oxy-3-fluorobenzoic acid is sourced from PubChem (CID 81346868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).