bis(2-methoxyethyl) 2,6-dimethyl-4-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate

C30H32N4O8 — CID 2873899

IUPACbis(2-methoxyethyl) 2,6-dimethyl-4-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCOCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCOC)C1c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C30H32N4O8/c1-19-25(29(35)41-16-14-39-3)27(26(20(2)31-19)30(36)42-17-15-40-4)24-18-33(22-8-6-5-7-9-22)32-28(24)21-10-12-23(13-11-21)34(37)38/h5-13,18,27,31H,14-17H2,1-4H3
InChIKeyMQGBKASKYRWTKV-UHFFFAOYSA-N
MW576.61 g/mol
LogP4.06
Rot. Bonds12

About bis(2-methoxyethyl) 2,6-dimethyl-4-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate

bis(2-methoxyethyl) 2,6-dimethyl-4-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate (PubChem CID 2873899) has the molecular formula C30H32N4O8 and a molecular weight of 576.61 g/mol. Its IUPAC name is bis(2-methoxyethyl) 2,6-dimethyl-4-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namebis(2-methoxyethyl) 2,6-dimethyl-4-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate
PubChem CID2873899
Molecular FormulaC30H32N4O8
Molecular Weight576.61 g/mol
Exact Mass576.22
IUPAC Namebis(2-methoxyethyl) 2,6-dimethyl-4-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCOCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCOC)C1c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C30H32N4O8/c1-19-25(29(35)41-16-14-39-3)27(26(20(2)31-19)30(36)42-17-15-40-4)24-18-33(22-8-6-5-7-9-22)32-28(24)21-10-12-23(13-11-21)34(37)38/h5-13,18,27,31H,14-17H2,1-4H3
InChIKeyMQGBKASKYRWTKV-UHFFFAOYSA-N
XLogP4.06
TPSA144.05 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.61
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze bis(2-methoxyethyl) 2,6-dimethyl-4-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(2-methoxyethyl) 2,6-dimethyl-4-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate?
The IUPAC name of bis(2-methoxyethyl) 2,6-dimethyl-4-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate (CID 2873899) is bis(2-methoxyethyl) 2,6-dimethyl-4-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate.
What is the SMILES notation for bis(2-methoxyethyl) 2,6-dimethyl-4-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate?
The canonical SMILES for bis(2-methoxyethyl) 2,6-dimethyl-4-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate is COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCOC)C1c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of bis(2-methoxyethyl) 2,6-dimethyl-4-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate?
The InChIKey is MQGBKASKYRWTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O8/c1-19-25(29(35)41-16-14-39-3)27(26(20(2)31-19)30(36)42-17-15-40-4)24-18-33(22-8-6-5-7-9-22)32-28(24)21-10-12-23(13-11-21)34(37)38/h5-13,18,27,31H,14-17H2,1-4H3.
What are the key properties of bis(2-methoxyethyl) 2,6-dimethyl-4-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate?
bis(2-methoxyethyl) 2,6-dimethyl-4-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate has a molecular weight of 576.61 g/mol, XLogP of 4.06, 12 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methoxyethyl) 2,6-dimethyl-4-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate is sourced from PubChem (CID 2873899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).