2-amino-6-[(1,3-diethylpyrazol-5-yl)methoxy]benzoic acid

C15H19N3O3 — CID 107341422

IUPAC2-amino-6-[(1,3-diethylpyrazol-5-yl)methoxy]benzoic acid
SMILESCCc1cc(COc2cccc(N)c2C(=O)O)n(CC)n1
InChIInChI=1S/C15H19N3O3/c1-3-10-8-11(18(4-2)17-10)9-21-13-7-5-6-12(16)14(13)15(19)20/h5-8H,3-4,9,16H2,1-2H3,(H,19,20)
InChIKeyLGLFSRDDTMERQF-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.32
Rot. Bonds6

About 2-amino-6-[(1,3-diethylpyrazol-5-yl)methoxy]benzoic acid

2-amino-6-[(1,3-diethylpyrazol-5-yl)methoxy]benzoic acid (PubChem CID 107341422) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-amino-6-[(1,3-diethylpyrazol-5-yl)methoxy]benzoic acid.

Molecular Properties

Compound Name2-amino-6-[(1,3-diethylpyrazol-5-yl)methoxy]benzoic acid
PubChem CID107341422
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name2-amino-6-[(1,3-diethylpyrazol-5-yl)methoxy]benzoic acid
SMILESCCc1cc(COc2cccc(N)c2C(=O)O)n(CC)n1
InChIInChI=1S/C15H19N3O3/c1-3-10-8-11(18(4-2)17-10)9-21-13-7-5-6-12(16)14(13)15(19)20/h5-8H,3-4,9,16H2,1-2H3,(H,19,20)
InChIKeyLGLFSRDDTMERQF-UHFFFAOYSA-N
XLogP2.32
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.32
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

2-[(1,3-diethylpyrazol-5-yl)methoxy]-6-fluorobenzoic acid
CID 107014090
(1,3-diethylpyrazol-5-yl)methyl 3-amino-2-chlorobenzoate
CID 115936069
2-[2-[(1,3-diethylpyrazol-5-yl)methoxy]phenyl]ethanol
CID 107713078
2-amino-6-[(2-methyltetrazol-5-yl)methoxy]benzoic acid
CID 107341596
2-amino-6-(2-methylsulfanylethoxy)benzoic acid
CID 107341426
[2-[(1,3-diethylpyrazol-5-yl)methoxy]-5-fluorophenyl]methanol
CID 107698448
3-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-2-methylbenzoic acid
CID 82826423
2-amino-6-(2-ethoxyethoxy)benzoic acid
CID 107341443
2-[2-[(1,3-diethylpyrazol-5-yl)methoxy]-5-fluorophenyl]ethanamine
CID 107700343
2-amino-6-(1,3-thiazol-2-ylmethoxy)benzoic acid
CID 107341512
2-amino-6-[(4-fluoro-2-methylphenyl)methoxy]benzoic acid
CID 107341632
2-amino-6-[(2-methylphenoxy)methyl]benzoic acid
CID 104825317

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[(1,3-diethylpyrazol-5-yl)methoxy]benzoic acid?
The IUPAC name of 2-amino-6-[(1,3-diethylpyrazol-5-yl)methoxy]benzoic acid (CID 107341422) is 2-amino-6-[(1,3-diethylpyrazol-5-yl)methoxy]benzoic acid.
What is the SMILES notation for 2-amino-6-[(1,3-diethylpyrazol-5-yl)methoxy]benzoic acid?
The canonical SMILES for 2-amino-6-[(1,3-diethylpyrazol-5-yl)methoxy]benzoic acid is CCc1cc(COc2cccc(N)c2C(=O)O)n(CC)n1.
What is the InChIKey of 2-amino-6-[(1,3-diethylpyrazol-5-yl)methoxy]benzoic acid?
The InChIKey is LGLFSRDDTMERQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-3-10-8-11(18(4-2)17-10)9-21-13-7-5-6-12(16)14(13)15(19)20/h5-8H,3-4,9,16H2,1-2H3,(H,19,20).
What are the key properties of 2-amino-6-[(1,3-diethylpyrazol-5-yl)methoxy]benzoic acid?
2-amino-6-[(1,3-diethylpyrazol-5-yl)methoxy]benzoic acid has a molecular weight of 289.33 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[(1,3-diethylpyrazol-5-yl)methoxy]benzoic acid is sourced from PubChem (CID 107341422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).