diethyl 5-(3-ethoxycarbonyl-4-hydroxypyrazol-1-yl)benzene-1,3-dicarboxylate

C18H20N2O7 — CID 1190210

IUPACdiethyl 5-(3-ethoxycarbonyl-4-hydroxypyrazol-1-yl)benzene-1,3-dicarboxylate
SMILESCCOC(=O)c1cc(C(=O)OCC)cc(-n2cc(O)c(C(=O)OCC)n2)c1
InChIInChI=1S/C18H20N2O7/c1-4-25-16(22)11-7-12(17(23)26-5-2)9-13(8-11)20-10-14(21)15(19-20)18(24)27-6-3/h7-10,21H,4-6H2,1-3H3
InChIKeyZBORQOLOIKMONX-UHFFFAOYSA-N
MW376.37 g/mol
LogP2.11
Rot. Bonds7

About diethyl 5-(3-ethoxycarbonyl-4-hydroxypyrazol-1-yl)benzene-1,3-dicarboxylate

diethyl 5-(3-ethoxycarbonyl-4-hydroxypyrazol-1-yl)benzene-1,3-dicarboxylate (PubChem CID 1190210) has the molecular formula C18H20N2O7 and a molecular weight of 376.37 g/mol. Its IUPAC name is diethyl 5-(3-ethoxycarbonyl-4-hydroxypyrazol-1-yl)benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namediethyl 5-(3-ethoxycarbonyl-4-hydroxypyrazol-1-yl)benzene-1,3-dicarboxylate
PubChem CID1190210
Molecular FormulaC18H20N2O7
Molecular Weight376.37 g/mol
Exact Mass376.13
IUPAC Namediethyl 5-(3-ethoxycarbonyl-4-hydroxypyrazol-1-yl)benzene-1,3-dicarboxylate
SMILESCCOC(=O)c1cc(C(=O)OCC)cc(-n2cc(O)c(C(=O)OCC)n2)c1
InChIInChI=1S/C18H20N2O7/c1-4-25-16(22)11-7-12(17(23)26-5-2)9-13(8-11)20-10-14(21)15(19-20)18(24)27-6-3/h7-10,21H,4-6H2,1-3H3
InChIKeyZBORQOLOIKMONX-UHFFFAOYSA-N
XLogP2.11
TPSA116.95 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze diethyl 5-(3-ethoxycarbonyl-4-hydroxypyrazol-1-yl)benzene-1,3-dicarboxylate 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-hydroxy-1-phenyl-1H-pyrazole-3-carboxylate
CID 239538
Ethyl 1-(1-acetyl-2,3-dihydroindol-5-yl)-4-hydroxypyrazole-3-carboxylate
CID 705920
Methyl 4-hydroxy-1-(4-phenylphenyl)pyrazole-3-carboxylate
CID 705937
Ethyl 4-hydroxy-1-(4-methylphenyl)-1H-pyrazole-3-carboxylate
CID 730283
Ethyl 4-hydroxy-1-naphthalen-2-ylpyrazole-3-carboxylate
CID 1228655
ethyl 1-(3,4-dimethylphenyl)-4-hydroxy-1H-pyrazole-3-carboxylate
CID 730291
dimethyl 5-(3-(ethoxycarbonyl)-4-hydroxy-1H-pyrazol-1-yl)isophthalate
CID 705247
ethyl 4-hydroxy-1-(3-(trifluoromethyl)phenyl)-1H-pyrazole-3-carboxylate
CID 711212
4-hydroxy-1-[3-(propan-2-yl)phenyl]-1H-pyrazole-3-carboxylic acid
CID 43246383
Ethyl 1-[4-(dimethylamino)phenyl]-4-hydroxypyrazole-3-carboxylate
CID 118737767
ethyl 1-[4-(ethoxycarbonyl)phenyl]-4-hydroxy-1H-pyrazole-3-carboxylate
CID 711197
Ethyl 1-(4-fluoro-2-methyl-phenyl)-4-hydroxy-pyrazole-3-carboxylate
CID 66610952

Frequently Asked Questions

What is the IUPAC name of diethyl 5-(3-ethoxycarbonyl-4-hydroxypyrazol-1-yl)benzene-1,3-dicarboxylate?
The IUPAC name of diethyl 5-(3-ethoxycarbonyl-4-hydroxypyrazol-1-yl)benzene-1,3-dicarboxylate (CID 1190210) is diethyl 5-(3-ethoxycarbonyl-4-hydroxypyrazol-1-yl)benzene-1,3-dicarboxylate.
What is the SMILES notation for diethyl 5-(3-ethoxycarbonyl-4-hydroxypyrazol-1-yl)benzene-1,3-dicarboxylate?
The canonical SMILES for diethyl 5-(3-ethoxycarbonyl-4-hydroxypyrazol-1-yl)benzene-1,3-dicarboxylate is CCOC(=O)c1cc(C(=O)OCC)cc(-n2cc(O)c(C(=O)OCC)n2)c1.
What is the InChIKey of diethyl 5-(3-ethoxycarbonyl-4-hydroxypyrazol-1-yl)benzene-1,3-dicarboxylate?
The InChIKey is ZBORQOLOIKMONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O7/c1-4-25-16(22)11-7-12(17(23)26-5-2)9-13(8-11)20-10-14(21)15(19-20)18(24)27-6-3/h7-10,21H,4-6H2,1-3H3.
What are the key properties of diethyl 5-(3-ethoxycarbonyl-4-hydroxypyrazol-1-yl)benzene-1,3-dicarboxylate?
diethyl 5-(3-ethoxycarbonyl-4-hydroxypyrazol-1-yl)benzene-1,3-dicarboxylate has a molecular weight of 376.37 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 5-(3-ethoxycarbonyl-4-hydroxypyrazol-1-yl)benzene-1,3-dicarboxylate is sourced from PubChem (CID 1190210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).