[2-(2,5-dimethoxyanilino)-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate

C19H19N3O6 — CID 35760199

IUPAC[2-(2,5-dimethoxyanilino)-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
SMILESCOc1ccc(OC)c(NC(=O)COC(=O)c2ccc(Cn3cccn3)o2)c1
InChIInChI=1S/C19H19N3O6/c1-25-13-4-6-16(26-2)15(10-13)21-18(23)12-27-19(24)17-7-5-14(28-17)11-22-9-3-8-20-22/h3-10H,11-12H2,1-2H3,(H,21,23)
InChIKeyYRGRMSZYNXZFII-UHFFFAOYSA-N
MW385.38 g/mol
LogP2.34
Rot. Bonds8

About [2-(2,5-dimethoxyanilino)-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate

[2-(2,5-dimethoxyanilino)-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate (PubChem CID 35760199) has the molecular formula C19H19N3O6 and a molecular weight of 385.38 g/mol. Its IUPAC name is [2-(2,5-dimethoxyanilino)-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate.

Molecular Properties

Compound Name[2-(2,5-dimethoxyanilino)-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
PubChem CID35760199
Molecular FormulaC19H19N3O6
Molecular Weight385.38 g/mol
Exact Mass385.13
IUPAC Name[2-(2,5-dimethoxyanilino)-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
SMILESCOc1ccc(OC)c(NC(=O)COC(=O)c2ccc(Cn3cccn3)o2)c1
InChIInChI=1S/C19H19N3O6/c1-25-13-4-6-16(26-2)15(10-13)21-18(23)12-27-19(24)17-7-5-14(28-17)11-22-9-3-8-20-22/h3-10H,11-12H2,1-2H3,(H,21,23)
InChIKeyYRGRMSZYNXZFII-UHFFFAOYSA-N
XLogP2.34
TPSA104.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [2-(2,5-dimethoxyanilino)-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate 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

[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
CID 55646701
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
CID 55646456
[2-(benzylcarbamoylamino)-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
CID 55646855
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2,6-dimethoxybenzoate
CID 2515970
[2-(2,5-dimethoxyanilino)-2-oxoethyl] propanoate
CID 2086138
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 7991975
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-carbamoylbenzoate
CID 30799809
[2-oxo-2-(4-propan-2-ylphenyl)ethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
CID 55646699
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 8724414
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 2501283
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8544216
N-(2,4-dimethoxyphenyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 18141970

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethoxyanilino)-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate?
The IUPAC name of [2-(2,5-dimethoxyanilino)-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate (CID 35760199) is [2-(2,5-dimethoxyanilino)-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate.
What is the SMILES notation for [2-(2,5-dimethoxyanilino)-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate?
The canonical SMILES for [2-(2,5-dimethoxyanilino)-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate is COc1ccc(OC)c(NC(=O)COC(=O)c2ccc(Cn3cccn3)o2)c1.
What is the InChIKey of [2-(2,5-dimethoxyanilino)-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate?
The InChIKey is YRGRMSZYNXZFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O6/c1-25-13-4-6-16(26-2)15(10-13)21-18(23)12-27-19(24)17-7-5-14(28-17)11-22-9-3-8-20-22/h3-10H,11-12H2,1-2H3,(H,21,23).
What are the key properties of [2-(2,5-dimethoxyanilino)-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate?
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate has a molecular weight of 385.38 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethoxyanilino)-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate is sourced from PubChem (CID 35760199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).