5-amino-2-(1-methylpyrazol-4-yl)oxybenzoic acid

C11H11N3O3 — CID 116793229

IUPAC5-amino-2-(1-methylpyrazol-4-yl)oxybenzoic acid
SMILESCn1cc(Oc2ccc(N)cc2C(=O)O)cn1
InChIInChI=1S/C11H11N3O3/c1-14-6-8(5-13-14)17-10-3-2-7(12)4-9(10)11(15)16/h2-6H,12H2,1H3,(H,15,16)
InChIKeyHZDONWJELACNQG-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.49
Rot. Bonds3

About 5-amino-2-(1-methylpyrazol-4-yl)oxybenzoic acid

5-amino-2-(1-methylpyrazol-4-yl)oxybenzoic acid (PubChem CID 116793229) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 5-amino-2-(1-methylpyrazol-4-yl)oxybenzoic acid.

Molecular Properties

Compound Name5-amino-2-(1-methylpyrazol-4-yl)oxybenzoic acid
PubChem CID116793229
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name5-amino-2-(1-methylpyrazol-4-yl)oxybenzoic acid
SMILESCn1cc(Oc2ccc(N)cc2C(=O)O)cn1
InChIInChI=1S/C11H11N3O3/c1-14-6-8(5-13-14)17-10-3-2-7(12)4-9(10)11(15)16/h2-6H,12H2,1H3,(H,15,16)
InChIKeyHZDONWJELACNQG-UHFFFAOYSA-N
XLogP1.49
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-2-(1-methylpyrazol-4-yl)oxybenzoic acid
CID 116792581
3-amino-4-(1-methylpyrazol-4-yl)oxybenzoic acid
CID 116793241
5-amino-2-[4-(4-amino-2-carboxyphenoxy)phenoxy]benzoic acid
CID 139816343
3-fluoro-4-(1-methylpyrazol-4-yl)oxyaniline
CID 116792351
3-methyl-4-(1-methylpyrazol-4-yl)oxybenzoic acid
CID 116792565
5-amino-2-(3-methylphenoxy)benzoic acid
CID 54887826
5-amino-2-(4-propan-2-ylphenoxy)benzoic acid
CID 60988094
5-amino-2-(3-ethoxyphenoxy)benzoic acid
CID 62338276
4-amino-3-(1-methylpyrazol-4-yl)oxybenzamide
CID 116792417
2-bromo-6-(1-methylpyrazol-4-yl)oxybenzoic acid
CID 114888730
5-amino-2-(4-propoxyphenoxy)benzoic acid
CID 60987362
2-fluoro-4-(1-methylpyrazol-4-yl)oxy-5-nitrobenzoic acid
CID 116792576

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(1-methylpyrazol-4-yl)oxybenzoic acid?
The IUPAC name of 5-amino-2-(1-methylpyrazol-4-yl)oxybenzoic acid (CID 116793229) is 5-amino-2-(1-methylpyrazol-4-yl)oxybenzoic acid.
What is the SMILES notation for 5-amino-2-(1-methylpyrazol-4-yl)oxybenzoic acid?
The canonical SMILES for 5-amino-2-(1-methylpyrazol-4-yl)oxybenzoic acid is Cn1cc(Oc2ccc(N)cc2C(=O)O)cn1.
What is the InChIKey of 5-amino-2-(1-methylpyrazol-4-yl)oxybenzoic acid?
The InChIKey is HZDONWJELACNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-14-6-8(5-13-14)17-10-3-2-7(12)4-9(10)11(15)16/h2-6H,12H2,1H3,(H,15,16).
What are the key properties of 5-amino-2-(1-methylpyrazol-4-yl)oxybenzoic acid?
5-amino-2-(1-methylpyrazol-4-yl)oxybenzoic acid has a molecular weight of 233.23 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(1-methylpyrazol-4-yl)oxybenzoic acid is sourced from PubChem (CID 116793229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).