2-[2-[2-(2-methylpyrazol-3-yl)ethylamino]ethoxy]benzoic acid

C15H19N3O3 — CID 103268835

IUPAC2-[2-[2-(2-methylpyrazol-3-yl)ethylamino]ethoxy]benzoic acid
SMILESCn1nccc1CCNCCOc1ccccc1C(=O)O
InChIInChI=1S/C15H19N3O3/c1-18-12(7-9-17-18)6-8-16-10-11-21-14-5-3-2-4-13(14)15(19)20/h2-5,7,9,16H,6,8,10-11H2,1H3,(H,19,20)
InChIKeyODWMHKMIZVFPMN-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.33
Rot. Bonds8

About 2-[2-[2-(2-methylpyrazol-3-yl)ethylamino]ethoxy]benzoic acid

2-[2-[2-(2-methylpyrazol-3-yl)ethylamino]ethoxy]benzoic acid (PubChem CID 103268835) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-[2-[2-(2-methylpyrazol-3-yl)ethylamino]ethoxy]benzoic acid.

Molecular Properties

Compound Name2-[2-[2-(2-methylpyrazol-3-yl)ethylamino]ethoxy]benzoic acid
PubChem CID103268835
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name2-[2-[2-(2-methylpyrazol-3-yl)ethylamino]ethoxy]benzoic acid
SMILESCn1nccc1CCNCCOc1ccccc1C(=O)O
InChIInChI=1S/C15H19N3O3/c1-18-12(7-9-17-18)6-8-16-10-11-21-14-5-3-2-4-13(14)15(19)20/h2-5,7,9,16H,6,8,10-11H2,1H3,(H,19,20)
InChIKeyODWMHKMIZVFPMN-UHFFFAOYSA-N
XLogP1.33
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]ethoxy]benzoic acid
CID 103258003
2-[2-(2-phenylethylamino)ethoxy]benzoic acid
CID 103234116
2-[2-(2-propan-2-yloxyethylamino)ethoxy]benzoic acid
CID 103266487
2-[2-(3-methoxypropylamino)ethoxy]benzoic acid
CID 103237137
4-methoxy-2-[2-(2-methylpyrazol-3-yl)ethoxy]benzoic acid
CID 102999412
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 103006076
2-[2-[2-(2-methylpyrazol-3-yl)ethylamino]ethoxy]ethanol
CID 103001295
2-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethoxy]benzoic acid
CID 103239179
2-(2-methylpyrazol-3-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 103002048
2-[2-(but-3-ynylamino)ethoxy]benzoic acid
CID 103251096
2-[2-[[2-oxo-2-(propylamino)ethyl]amino]ethoxy]benzoic acid
CID 103239086
3-bromo-2-[2-(2-methylpyrazol-3-yl)ethoxy]benzoic acid
CID 103002882

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-methylpyrazol-3-yl)ethylamino]ethoxy]benzoic acid?
The IUPAC name of 2-[2-[2-(2-methylpyrazol-3-yl)ethylamino]ethoxy]benzoic acid (CID 103268835) is 2-[2-[2-(2-methylpyrazol-3-yl)ethylamino]ethoxy]benzoic acid.
What is the SMILES notation for 2-[2-[2-(2-methylpyrazol-3-yl)ethylamino]ethoxy]benzoic acid?
The canonical SMILES for 2-[2-[2-(2-methylpyrazol-3-yl)ethylamino]ethoxy]benzoic acid is Cn1nccc1CCNCCOc1ccccc1C(=O)O.
What is the InChIKey of 2-[2-[2-(2-methylpyrazol-3-yl)ethylamino]ethoxy]benzoic acid?
The InChIKey is ODWMHKMIZVFPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-18-12(7-9-17-18)6-8-16-10-11-21-14-5-3-2-4-13(14)15(19)20/h2-5,7,9,16H,6,8,10-11H2,1H3,(H,19,20).
What are the key properties of 2-[2-[2-(2-methylpyrazol-3-yl)ethylamino]ethoxy]benzoic acid?
2-[2-[2-(2-methylpyrazol-3-yl)ethylamino]ethoxy]benzoic acid has a molecular weight of 289.34 g/mol, XLogP of 1.33, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-methylpyrazol-3-yl)ethylamino]ethoxy]benzoic acid is sourced from PubChem (CID 103268835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).