diethyl 2-methyl-1,2-diphenyl-3H-pyrrole-4,5-dicarboxylate

C23H25NO4 — CID 164684717

IUPACdiethyl 2-methyl-1,2-diphenyl-3H-pyrrole-4,5-dicarboxylate
SMILESCCOC(=O)C1=C(C(=O)OCC)N(c2ccccc2)C(C)(c2ccccc2)C1
InChIInChI=1S/C23H25NO4/c1-4-27-21(25)19-16-23(3,17-12-8-6-9-13-17)24(18-14-10-7-11-15-18)20(19)22(26)28-5-2/h6-15H,4-5,16H2,1-3H3
InChIKeyPYHDJDHEMFWKII-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.19
Rot. Bonds6

About diethyl 2-methyl-1,2-diphenyl-3H-pyrrole-4,5-dicarboxylate

diethyl 2-methyl-1,2-diphenyl-3H-pyrrole-4,5-dicarboxylate (PubChem CID 164684717) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is diethyl 2-methyl-1,2-diphenyl-3H-pyrrole-4,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 2-methyl-1,2-diphenyl-3H-pyrrole-4,5-dicarboxylate
PubChem CID164684717
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Namediethyl 2-methyl-1,2-diphenyl-3H-pyrrole-4,5-dicarboxylate
SMILESCCOC(=O)C1=C(C(=O)OCC)N(c2ccccc2)C(C)(c2ccccc2)C1
InChIInChI=1S/C23H25NO4/c1-4-27-21(25)19-16-23(3,17-12-8-6-9-13-17)24(18-14-10-7-11-15-18)20(19)22(26)28-5-2/h6-15H,4-5,16H2,1-3H3
InChIKeyPYHDJDHEMFWKII-UHFFFAOYSA-N
XLogP4.19
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze diethyl 2-methyl-1,2-diphenyl-3H-pyrrole-4,5-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 1-(4-fluorophenyl)-2-methyl-4-phenyl-4H-pyridine-3-carboxylate
CID 11439125
ethyl 2-methyl-1-(4-methylphenyl)-4-phenyl-4H-pyridine-3-carboxylate
CID 45483899
2(5H)Furanone, 3-benzyl-4-(N-(2-(dimethylamino)ethyl)-N-phenylamino)-
CID 54127
methyl 2-methyl-1,4-diphenyl-4H-pyridine-3-carboxylate
CID 45483871
methyl 2,5-dimethyl-1,4-diphenyl-4H-pyridine-3-carboxylate
CID 45483875
ethyl 2-methyl-1,4-diphenyl-4H-pyridine-3-carboxylate
CID 45483891
ethyl 1-(4-fluorophenyl)-4-phenyl-2-propyl-4H-pyridine-3-carboxylate
CID 101152109
Methyl 4-methyl-6-phenyl-2-(phenylamino)cyclohexa-1,3-diene-1-carboxylate
CID 46949384
ethyl 1,4-diphenyl-2-propyl-4H-pyridine-3-carboxylate
CID 101152100
diethyl 2,6-dimethyl-1,4-diphenyl-4H-pyridine-3,5-dicarboxylate
CID 1127137
ethyl 2-ethyl-1-(4-fluorophenyl)-4-phenyl-4H-pyridine-3-carboxylate
CID 101152108
Dimethyl 2,3,6-triphenyl-3-azabicyclo[5.2.0]nona-1,4,6-triene-4,5-dicarboxylate
CID 10790259

Frequently Asked Questions

What is the IUPAC name of diethyl 2-methyl-1,2-diphenyl-3H-pyrrole-4,5-dicarboxylate?
The IUPAC name of diethyl 2-methyl-1,2-diphenyl-3H-pyrrole-4,5-dicarboxylate (CID 164684717) is diethyl 2-methyl-1,2-diphenyl-3H-pyrrole-4,5-dicarboxylate.
What is the SMILES notation for diethyl 2-methyl-1,2-diphenyl-3H-pyrrole-4,5-dicarboxylate?
The canonical SMILES for diethyl 2-methyl-1,2-diphenyl-3H-pyrrole-4,5-dicarboxylate is CCOC(=O)C1=C(C(=O)OCC)N(c2ccccc2)C(C)(c2ccccc2)C1.
What is the InChIKey of diethyl 2-methyl-1,2-diphenyl-3H-pyrrole-4,5-dicarboxylate?
The InChIKey is PYHDJDHEMFWKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO4/c1-4-27-21(25)19-16-23(3,17-12-8-6-9-13-17)24(18-14-10-7-11-15-18)20(19)22(26)28-5-2/h6-15H,4-5,16H2,1-3H3.
What are the key properties of diethyl 2-methyl-1,2-diphenyl-3H-pyrrole-4,5-dicarboxylate?
diethyl 2-methyl-1,2-diphenyl-3H-pyrrole-4,5-dicarboxylate has a molecular weight of 379.46 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-methyl-1,2-diphenyl-3H-pyrrole-4,5-dicarboxylate is sourced from PubChem (CID 164684717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).