2-pyrazol-1-ylethyl 3-amino-4-ethoxybenzoate

C14H17N3O3 — CID 61494765

IUPAC2-pyrazol-1-ylethyl 3-amino-4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)OCCn2cccn2)cc1N
InChIInChI=1S/C14H17N3O3/c1-2-19-13-5-4-11(10-12(13)15)14(18)20-9-8-17-7-3-6-16-17/h3-7,10H,2,8-9,15H2,1H3
InChIKeyFPDSYBWGWSBENA-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.72
Rot. Bonds6

About 2-pyrazol-1-ylethyl 3-amino-4-ethoxybenzoate

2-pyrazol-1-ylethyl 3-amino-4-ethoxybenzoate (PubChem CID 61494765) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-pyrazol-1-ylethyl 3-amino-4-ethoxybenzoate.

Molecular Properties

Compound Name2-pyrazol-1-ylethyl 3-amino-4-ethoxybenzoate
PubChem CID61494765
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2-pyrazol-1-ylethyl 3-amino-4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)OCCn2cccn2)cc1N
InChIInChI=1S/C14H17N3O3/c1-2-19-13-5-4-11(10-12(13)15)14(18)20-9-8-17-7-3-6-16-17/h3-7,10H,2,8-9,15H2,1H3
InChIKeyFPDSYBWGWSBENA-UHFFFAOYSA-N
XLogP1.72
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.72
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-pyrazol-1-ylethyl 3-amino-4-chlorobenzoate
CID 47487654
3-(dimethylamino)propyl 3-amino-4-ethoxybenzoate
CID 114526416
3-cyanopropyl 3-amino-4-ethoxybenzoate
CID 61321472
(4,5-dimethyl-1,2,4-triazol-3-yl)methyl 3-amino-4-ethoxybenzoate
CID 61323181
2-ethylbutyl 3-amino-4-ethoxybenzoate
CID 82930597
3-pyrazol-1-ylpropyl 4-tert-butylbenzoate
CID 86900951
ethyl 3,4-diethoxybenzoate
CID 586407
ethyl 3-amino-4-(2-ethoxyethoxy)benzoate
CID 61306324
[3-ethoxy-4-(2-pyrazol-1-ylethoxy)phenyl]methanamine
CID 61491518
3-amino-4-ethoxy-N-pyrimidin-2-ylbenzamide
CID 61093521
2-pyrazol-1-ylethyl 5-amino-2-methylpyridine-3-carboxylate
CID 54961483
[2-(carbamoylamino)-2-oxoethyl] 3-amino-4-ethoxybenzoate
CID 61322799

Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-ylethyl 3-amino-4-ethoxybenzoate?
The IUPAC name of 2-pyrazol-1-ylethyl 3-amino-4-ethoxybenzoate (CID 61494765) is 2-pyrazol-1-ylethyl 3-amino-4-ethoxybenzoate.
What is the SMILES notation for 2-pyrazol-1-ylethyl 3-amino-4-ethoxybenzoate?
The canonical SMILES for 2-pyrazol-1-ylethyl 3-amino-4-ethoxybenzoate is CCOc1ccc(C(=O)OCCn2cccn2)cc1N.
What is the InChIKey of 2-pyrazol-1-ylethyl 3-amino-4-ethoxybenzoate?
The InChIKey is FPDSYBWGWSBENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-2-19-13-5-4-11(10-12(13)15)14(18)20-9-8-17-7-3-6-16-17/h3-7,10H,2,8-9,15H2,1H3.
What are the key properties of 2-pyrazol-1-ylethyl 3-amino-4-ethoxybenzoate?
2-pyrazol-1-ylethyl 3-amino-4-ethoxybenzoate has a molecular weight of 275.31 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-ylethyl 3-amino-4-ethoxybenzoate is sourced from PubChem (CID 61494765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).