ethyl 4-[3-(4-ethoxy-2-hydroxyphenyl)pyrazolidin-4-yl]oxybenzoate

C20H24N2O5 — CID 156593166

IUPACethyl 4-[3-(4-ethoxy-2-hydroxyphenyl)pyrazolidin-4-yl]oxybenzoate
SMILESCCOC(=O)c1ccc(OC2CNNC2c2ccc(OCC)cc2O)cc1
InChIInChI=1S/C20H24N2O5/c1-3-25-15-9-10-16(17(23)11-15)19-18(12-21-22-19)27-14-7-5-13(6-8-14)20(24)26-4-2/h5-11,18-19,21-23H,3-4,12H2,1-2H3
InChIKeyVFFZQHZTKAFAOH-UHFFFAOYSA-N
MW372.42 g/mol
LogP2.56
Rot. Bonds7

About ethyl 4-[3-(4-ethoxy-2-hydroxyphenyl)pyrazolidin-4-yl]oxybenzoate

ethyl 4-[3-(4-ethoxy-2-hydroxyphenyl)pyrazolidin-4-yl]oxybenzoate (PubChem CID 156593166) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is ethyl 4-[3-(4-ethoxy-2-hydroxyphenyl)pyrazolidin-4-yl]oxybenzoate.

Molecular Properties

Compound Nameethyl 4-[3-(4-ethoxy-2-hydroxyphenyl)pyrazolidin-4-yl]oxybenzoate
PubChem CID156593166
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Nameethyl 4-[3-(4-ethoxy-2-hydroxyphenyl)pyrazolidin-4-yl]oxybenzoate
SMILESCCOC(=O)c1ccc(OC2CNNC2c2ccc(OCC)cc2O)cc1
InChIInChI=1S/C20H24N2O5/c1-3-25-15-9-10-16(17(23)11-15)19-18(12-21-22-19)27-14-7-5-13(6-8-14)20(24)26-4-2/h5-11,18-19,21-23H,3-4,12H2,1-2H3
InChIKeyVFFZQHZTKAFAOH-UHFFFAOYSA-N
XLogP2.56
TPSA89.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze ethyl 4-[3-(4-ethoxy-2-hydroxyphenyl)pyrazolidin-4-yl]oxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-[3-[2-hydroxy-4-(2-methylprop-2-enoxy)phenyl]pyrazolidin-4-yl]oxybenzoate
CID 156592894
ethyl 4-[3-[2-hydroxy-4-(2-methylprop-2-enoxy)phenyl]-5-methylpyrazolidin-4-yl]oxybenzoate
CID 156590125
ethyl 4-[4-[8,14,20-tris[4-(4-ethoxycarbonylphenoxy)phenyl]-4,6,10,12,16,18,22,24-octahydroxy-2-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]phenoxy]benzoate
CID 59414805
ethyl 1,2,2a,7b-tetrahydro-[1]benzofuro[3,2-b]azete-5-carboxylate
CID 122462245
ethyl 6-iodonaphthalene-2-carboxylate
CID 58151998
ethyl 4-(4-aminocyclohexyl)oxybenzoate
CID 16756169
ethyl 4-(1-methylpiperidin-4-yl)oxybenzoate
CID 162773529
ethyl 3-[(4-ethoxybenzoyl)amino]benzoate
CID 836694
ethyl 4-hydroxy-3-iodobenzoate
CID 11220038
ethyl 4-(piperidin-3-ylmethoxy)benzoate
CID 24902373
[(E)-but-2-enyl] 4-ethoxybenzoate
CID 78830423
ethyl 3,4-diethoxybenzoate
CID 586407

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(4-ethoxy-2-hydroxyphenyl)pyrazolidin-4-yl]oxybenzoate?
The IUPAC name of ethyl 4-[3-(4-ethoxy-2-hydroxyphenyl)pyrazolidin-4-yl]oxybenzoate (CID 156593166) is ethyl 4-[3-(4-ethoxy-2-hydroxyphenyl)pyrazolidin-4-yl]oxybenzoate.
What is the SMILES notation for ethyl 4-[3-(4-ethoxy-2-hydroxyphenyl)pyrazolidin-4-yl]oxybenzoate?
The canonical SMILES for ethyl 4-[3-(4-ethoxy-2-hydroxyphenyl)pyrazolidin-4-yl]oxybenzoate is CCOC(=O)c1ccc(OC2CNNC2c2ccc(OCC)cc2O)cc1.
What is the InChIKey of ethyl 4-[3-(4-ethoxy-2-hydroxyphenyl)pyrazolidin-4-yl]oxybenzoate?
The InChIKey is VFFZQHZTKAFAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-3-25-15-9-10-16(17(23)11-15)19-18(12-21-22-19)27-14-7-5-13(6-8-14)20(24)26-4-2/h5-11,18-19,21-23H,3-4,12H2,1-2H3.
What are the key properties of ethyl 4-[3-(4-ethoxy-2-hydroxyphenyl)pyrazolidin-4-yl]oxybenzoate?
ethyl 4-[3-(4-ethoxy-2-hydroxyphenyl)pyrazolidin-4-yl]oxybenzoate has a molecular weight of 372.42 g/mol, XLogP of 2.56, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(4-ethoxy-2-hydroxyphenyl)pyrazolidin-4-yl]oxybenzoate is sourced from PubChem (CID 156593166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).