ethyl 2-amino-3-[(5-methyl-1H-pyrazol-3-yl)oxy]benzoate

C13H15N3O3 — CID 113333382

IUPACethyl 2-amino-3-[(5-methyl-1H-pyrazol-3-yl)oxy]benzoate
SMILESCCOC(=O)c1cccc(Oc2cc(C)[nH]n2)c1N
InChIInChI=1S/C13H15N3O3/c1-3-18-13(17)9-5-4-6-10(12(9)14)19-11-7-8(2)15-16-11/h4-7H,3,14H2,1-2H3,(H,15,16)
InChIKeyKGPLHARAMOUNDX-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.27
Rot. Bonds4

About ethyl 2-amino-3-[(5-methyl-1H-pyrazol-3-yl)oxy]benzoate

ethyl 2-amino-3-[(5-methyl-1H-pyrazol-3-yl)oxy]benzoate (PubChem CID 113333382) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is ethyl 2-amino-3-[(5-methyl-1H-pyrazol-3-yl)oxy]benzoate.

Molecular Properties

Compound Nameethyl 2-amino-3-[(5-methyl-1H-pyrazol-3-yl)oxy]benzoate
PubChem CID113333382
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Nameethyl 2-amino-3-[(5-methyl-1H-pyrazol-3-yl)oxy]benzoate
SMILESCCOC(=O)c1cccc(Oc2cc(C)[nH]n2)c1N
InChIInChI=1S/C13H15N3O3/c1-3-18-13(17)9-5-4-6-10(12(9)14)19-11-7-8(2)15-16-11/h4-7H,3,14H2,1-2H3,(H,15,16)
InChIKeyKGPLHARAMOUNDX-UHFFFAOYSA-N
XLogP2.27
TPSA90.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.27
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

ethyl 2-amino-3-(5-fluoro-2-methylphenoxy)benzoate
CID 102982941
ethyl 2-amino-3-[(5-chloro-3-pyridinyl)oxy]benzoate
CID 115547310
ethyl 2-amino-3-(4-chloro-3-methylphenoxy)benzoate
CID 115546867
ethyl 2-amino-3-octoxybenzoate
CID 115547094
ethyl 2-(2-ethoxycarbonylphenoxy)benzoate
CID 142800670
ethyl 2-amino-3-propylbenzoate
CID 60835647
ethyl 2-amino-3-(cyclopentylmethoxy)benzoate
CID 115547349
ethyl 2-amino-3-(2-chloroacetyl)benzoate
CID 175008428
(1S)-1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]ethanamine
CID 81341859
2-[(5-methyl-1H-pyrazol-3-yl)oxy]quinoline-5-carboxylic acid
CID 81341557
ethyl 6-(2-amino-3-hydroxyphenoxy)pyridine-3-carboxylate
CID 114764586
ethyl 3-amino-2-(2-ethylphenoxy)benzoate
CID 115935732

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-[(5-methyl-1H-pyrazol-3-yl)oxy]benzoate?
The IUPAC name of ethyl 2-amino-3-[(5-methyl-1H-pyrazol-3-yl)oxy]benzoate (CID 113333382) is ethyl 2-amino-3-[(5-methyl-1H-pyrazol-3-yl)oxy]benzoate.
What is the SMILES notation for ethyl 2-amino-3-[(5-methyl-1H-pyrazol-3-yl)oxy]benzoate?
The canonical SMILES for ethyl 2-amino-3-[(5-methyl-1H-pyrazol-3-yl)oxy]benzoate is CCOC(=O)c1cccc(Oc2cc(C)[nH]n2)c1N.
What is the InChIKey of ethyl 2-amino-3-[(5-methyl-1H-pyrazol-3-yl)oxy]benzoate?
The InChIKey is KGPLHARAMOUNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-3-18-13(17)9-5-4-6-10(12(9)14)19-11-7-8(2)15-16-11/h4-7H,3,14H2,1-2H3,(H,15,16).
What are the key properties of ethyl 2-amino-3-[(5-methyl-1H-pyrazol-3-yl)oxy]benzoate?
ethyl 2-amino-3-[(5-methyl-1H-pyrazol-3-yl)oxy]benzoate has a molecular weight of 261.28 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-[(5-methyl-1H-pyrazol-3-yl)oxy]benzoate is sourced from PubChem (CID 113333382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).