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

C12H12FN3O3 — CID 81345916

IUPAC2-amino-5-(2,5-dimethylpyrazol-3-yl)oxy-4-fluorobenzoic acid
SMILESCc1cc(Oc2cc(C(=O)O)c(N)cc2F)n(C)n1
InChIInChI=1S/C12H12FN3O3/c1-6-3-11(16(2)15-6)19-10-4-7(12(17)18)9(14)5-8(10)13/h3-5H,14H2,1-2H3,(H,17,18)
InChIKeyRGRPOKQHEMWSDA-UHFFFAOYSA-N
MW265.24 g/mol
LogP1.94
Rot. Bonds3

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

2-amino-5-(2,5-dimethylpyrazol-3-yl)oxy-4-fluorobenzoic acid (PubChem CID 81345916) has the molecular formula C12H12FN3O3 and a molecular weight of 265.24 g/mol. Its IUPAC name is 2-amino-5-(2,5-dimethylpyrazol-3-yl)oxy-4-fluorobenzoic acid.

Molecular Properties

Compound Name2-amino-5-(2,5-dimethylpyrazol-3-yl)oxy-4-fluorobenzoic acid
PubChem CID81345916
Molecular FormulaC12H12FN3O3
Molecular Weight265.24 g/mol
Exact Mass265.09
IUPAC Name2-amino-5-(2,5-dimethylpyrazol-3-yl)oxy-4-fluorobenzoic acid
SMILESCc1cc(Oc2cc(C(=O)O)c(N)cc2F)n(C)n1
InChIInChI=1S/C12H12FN3O3/c1-6-3-11(16(2)15-6)19-10-4-7(12(17)18)9(14)5-8(10)13/h3-5H,14H2,1-2H3,(H,17,18)
InChIKeyRGRPOKQHEMWSDA-UHFFFAOYSA-N
XLogP1.94
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-amino-5-(2,5-dimethylpyrazol-3-yl)oxy-4-fluorobenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-amino-5-(2,5-dimethylpyrazol-3-yl)oxy-4-fluorobenzoate
CID 81333635
4-(2,5-dimethylpyrazol-3-yl)oxy-3-fluorobenzoic acid
CID 81346868
2-amino-5-(2,5-dimethylpyrazol-3-yl)oxypyridine-4-carboxylic acid
CID 114195702
2-amino-5-(2,5-dimethylpyrazol-3-yl)oxybenzoic acid
CID 81346605
3-amino-4-(2,5-dimethylpyrazol-3-yl)oxybenzoic acid
CID 81346768
2-(2,5-dimethylpyrazol-3-yl)oxy-3-fluorobenzoic acid
CID 81342191
1-[2-amino-5-(2,5-dimethylpyrazol-3-yl)oxyphenyl]ethanone
CID 104613349
2-(2,5-dimethylpyrazol-3-yl)oxypyridine-3-carboxylic acid
CID 81342189
ethyl 3-amino-4-(2,5-dimethylpyrazol-3-yl)oxybenzoate
CID 81346379
4-amino-3-(2,5-dimethylpyrazol-3-yl)oxy-N-methylbenzamide
CID 81342274
benzene;(2,5-dimethylpyrazol-3-yl) acetate;ethane
CID 91380577
2-amino-5-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid
CID 151090699

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2,5-dimethylpyrazol-3-yl)oxy-4-fluorobenzoic acid?
The IUPAC name of 2-amino-5-(2,5-dimethylpyrazol-3-yl)oxy-4-fluorobenzoic acid (CID 81345916) is 2-amino-5-(2,5-dimethylpyrazol-3-yl)oxy-4-fluorobenzoic acid.
What is the SMILES notation for 2-amino-5-(2,5-dimethylpyrazol-3-yl)oxy-4-fluorobenzoic acid?
The canonical SMILES for 2-amino-5-(2,5-dimethylpyrazol-3-yl)oxy-4-fluorobenzoic acid is Cc1cc(Oc2cc(C(=O)O)c(N)cc2F)n(C)n1.
What is the InChIKey of 2-amino-5-(2,5-dimethylpyrazol-3-yl)oxy-4-fluorobenzoic acid?
The InChIKey is RGRPOKQHEMWSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O3/c1-6-3-11(16(2)15-6)19-10-4-7(12(17)18)9(14)5-8(10)13/h3-5H,14H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-5-(2,5-dimethylpyrazol-3-yl)oxy-4-fluorobenzoic acid?
2-amino-5-(2,5-dimethylpyrazol-3-yl)oxy-4-fluorobenzoic acid has a molecular weight of 265.24 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2,5-dimethylpyrazol-3-yl)oxy-4-fluorobenzoic acid is sourced from PubChem (CID 81345916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).