2-(2-methylpyrazol-3-yl)ethyl 3-amino-2-ethoxybenzoate

C15H19N3O3 — CID 103013683

IUPAC2-(2-methylpyrazol-3-yl)ethyl 3-amino-2-ethoxybenzoate
SMILESCCOc1c(N)cccc1C(=O)OCCc1ccnn1C
InChIInChI=1S/C15H19N3O3/c1-3-20-14-12(5-4-6-13(14)16)15(19)21-10-8-11-7-9-17-18(11)2/h4-7,9H,3,8,10,16H2,1-2H3
InChIKeyXIWTYMFSDVXBIL-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.80
Rot. Bonds6

About 2-(2-methylpyrazol-3-yl)ethyl 3-amino-2-ethoxybenzoate

2-(2-methylpyrazol-3-yl)ethyl 3-amino-2-ethoxybenzoate (PubChem CID 103013683) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-(2-methylpyrazol-3-yl)ethyl 3-amino-2-ethoxybenzoate.

Molecular Properties

Compound Name2-(2-methylpyrazol-3-yl)ethyl 3-amino-2-ethoxybenzoate
PubChem CID103013683
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name2-(2-methylpyrazol-3-yl)ethyl 3-amino-2-ethoxybenzoate
SMILESCCOc1c(N)cccc1C(=O)OCCc1ccnn1C
InChIInChI=1S/C15H19N3O3/c1-3-20-14-12(5-4-6-13(14)16)15(19)21-10-8-11-7-9-17-18(11)2/h4-7,9H,3,8,10,16H2,1-2H3
InChIKeyXIWTYMFSDVXBIL-UHFFFAOYSA-N
XLogP1.80
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.80
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

2-(2-methylpyrazol-3-yl)ethyl 2-amino-4,5-difluorobenzoate
CID 103013618
2-(2-methylpyrazol-3-yl)ethyl 2-amino-4-fluorobenzoate
CID 103013686
2-(2-methylpyrazol-3-yl)ethyl 2-amino-4-chlorobenzoate
CID 103013544
2-[2-(2-methylpyrazol-3-yl)ethoxy]aniline
CID 102999319
2-(2-methylpyrazol-3-yl)ethyl 5-amino-2-chlorobenzoate
CID 103013522
2-propan-2-ylsulfonylethyl 3-amino-2-ethoxybenzoate
CID 106728887
methyl 4-amino-2-[2-(2-methylpyrazol-3-yl)ethoxy]benzoate
CID 106955136
(1-amino-1-oxopropan-2-yl) 3-amino-2-ethoxybenzoate
CID 113386665
(5-bromo-2-pyridinyl)methyl 3-amino-2-ethoxybenzoate
CID 104808521
ethyl 4-amino-2,3-diethoxybenzoate
CID 69259222
ethyl 3-amino-2-(3-methylbutoxy)benzoate
CID 112579665
3-amino-2-ethoxy-N-methylbenzamide
CID 112693169

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpyrazol-3-yl)ethyl 3-amino-2-ethoxybenzoate?
The IUPAC name of 2-(2-methylpyrazol-3-yl)ethyl 3-amino-2-ethoxybenzoate (CID 103013683) is 2-(2-methylpyrazol-3-yl)ethyl 3-amino-2-ethoxybenzoate.
What is the SMILES notation for 2-(2-methylpyrazol-3-yl)ethyl 3-amino-2-ethoxybenzoate?
The canonical SMILES for 2-(2-methylpyrazol-3-yl)ethyl 3-amino-2-ethoxybenzoate is CCOc1c(N)cccc1C(=O)OCCc1ccnn1C.
What is the InChIKey of 2-(2-methylpyrazol-3-yl)ethyl 3-amino-2-ethoxybenzoate?
The InChIKey is XIWTYMFSDVXBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-3-20-14-12(5-4-6-13(14)16)15(19)21-10-8-11-7-9-17-18(11)2/h4-7,9H,3,8,10,16H2,1-2H3.
What are the key properties of 2-(2-methylpyrazol-3-yl)ethyl 3-amino-2-ethoxybenzoate?
2-(2-methylpyrazol-3-yl)ethyl 3-amino-2-ethoxybenzoate has a molecular weight of 289.34 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpyrazol-3-yl)ethyl 3-amino-2-ethoxybenzoate is sourced from PubChem (CID 103013683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).