ethyl 2-amino-5-(1-propan-2-ylpyrazol-4-yl)oxybenzoate

C15H19N3O3 — CID 116802601

IUPACethyl 2-amino-5-(1-propan-2-ylpyrazol-4-yl)oxybenzoate
SMILESCCOC(=O)c1cc(Oc2cnn(C(C)C)c2)ccc1N
InChIInChI=1S/C15H19N3O3/c1-4-20-15(19)13-7-11(5-6-14(13)16)21-12-8-17-18(9-12)10(2)3/h5-10H,4,16H2,1-3H3
InChIKeyCTYSENQHQMIRJK-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.02
Rot. Bonds5

About ethyl 2-amino-5-(1-propan-2-ylpyrazol-4-yl)oxybenzoate

ethyl 2-amino-5-(1-propan-2-ylpyrazol-4-yl)oxybenzoate (PubChem CID 116802601) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is ethyl 2-amino-5-(1-propan-2-ylpyrazol-4-yl)oxybenzoate.

Molecular Properties

Compound Nameethyl 2-amino-5-(1-propan-2-ylpyrazol-4-yl)oxybenzoate
PubChem CID116802601
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Nameethyl 2-amino-5-(1-propan-2-ylpyrazol-4-yl)oxybenzoate
SMILESCCOC(=O)c1cc(Oc2cnn(C(C)C)c2)ccc1N
InChIInChI=1S/C15H19N3O3/c1-4-20-15(19)13-7-11(5-6-14(13)16)21-12-8-17-18(9-12)10(2)3/h5-10H,4,16H2,1-3H3
InChIKeyCTYSENQHQMIRJK-UHFFFAOYSA-N
XLogP3.02
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-amino-5-(1-propan-2-ylpyrazol-4-yl)oxybenzoate
CID 116802590
ethyl 2-amino-5-(4-methylphenoxy)benzoate
CID 63423730
ethyl 2-amino-5-(4-bromophenoxy)benzoate
CID 63423182
2-amino-N-methyl-4-(1-propan-2-ylpyrazol-4-yl)oxybenzenesulfonamide
CID 116800594
4-bromo-2-(1-propan-2-ylpyrazol-4-yl)oxyaniline
CID 116800549
ethyl 2-amino-5-(3-methylbutoxy)benzoate
CID 61307572
ethyl 2-amino-5-(2-propan-2-yloxyethoxy)benzoate
CID 61307579
ethyl 5-amino-3-fluoro-2-(1-propan-2-ylpyrazol-4-yl)benzoate
CID 162427005
4-(1-propan-2-ylpyrazol-4-yl)oxy-2,1,3-benzoxadiazol-7-amine
CID 116800519
ethyl 2-amino-5-(2-cyanophenoxy)benzoate
CID 61305610
ethyl 2-amino-5-[2-(dimethylamino)ethoxy]benzoate
CID 61306548
ethyl 2-amino-5-(2,5-difluorophenoxy)benzoate
CID 63269663

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5-(1-propan-2-ylpyrazol-4-yl)oxybenzoate?
The IUPAC name of ethyl 2-amino-5-(1-propan-2-ylpyrazol-4-yl)oxybenzoate (CID 116802601) is ethyl 2-amino-5-(1-propan-2-ylpyrazol-4-yl)oxybenzoate.
What is the SMILES notation for ethyl 2-amino-5-(1-propan-2-ylpyrazol-4-yl)oxybenzoate?
The canonical SMILES for ethyl 2-amino-5-(1-propan-2-ylpyrazol-4-yl)oxybenzoate is CCOC(=O)c1cc(Oc2cnn(C(C)C)c2)ccc1N.
What is the InChIKey of ethyl 2-amino-5-(1-propan-2-ylpyrazol-4-yl)oxybenzoate?
The InChIKey is CTYSENQHQMIRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-4-20-15(19)13-7-11(5-6-14(13)16)21-12-8-17-18(9-12)10(2)3/h5-10H,4,16H2,1-3H3.
What are the key properties of ethyl 2-amino-5-(1-propan-2-ylpyrazol-4-yl)oxybenzoate?
ethyl 2-amino-5-(1-propan-2-ylpyrazol-4-yl)oxybenzoate has a molecular weight of 289.34 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-5-(1-propan-2-ylpyrazol-4-yl)oxybenzoate is sourced from PubChem (CID 116802601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).