About 1-[1-(3-chlorophenyl)-5-[3-[3-(dimethylamino)propoxy]phenyl]pyrazole-3-carbonyl]imidazolidin-4-one;formic acid
1-[1-(3-chlorophenyl)-5-[3-[3-(dimethylamino)propoxy]phenyl]pyrazole-3-carbonyl]imidazolidin-4-one;formic acid (PubChem CID 67153505) has the molecular formula C25H28ClN5O5
and a molecular weight of 513.98 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)-5-[3-[3-(dimethylamino)propoxy]phenyl]pyrazole-3-carbonyl]imidazolidin-4-one;formic acid.
Molecular Properties
| Compound Name | 1-[1-(3-chlorophenyl)-5-[3-[3-(dimethylamino)propoxy]phenyl]pyrazole-3-carbonyl]imidazolidin-4-one;formic acid |
|---|
| PubChem CID | 67153505 |
|---|
| Molecular Formula | C25H28ClN5O5 |
|---|
| Molecular Weight | 513.98 g/mol |
|---|
| Exact Mass | 513.18 |
|---|
| IUPAC Name | 1-[1-(3-chlorophenyl)-5-[3-[3-(dimethylamino)propoxy]phenyl]pyrazole-3-carbonyl]imidazolidin-4-one;formic acid |
|---|
| SMILES | CN(C)CCCOc1cccc(-c2cc(C(=O)N3CNC(=O)C3)nn2-c2cccc(Cl)c2)c1.O=CO |
|---|
| InChI | InChI=1S/C24H26ClN5O3.CH2O2/c1-28(2)10-5-11-33-20-9-3-6-17(12-20)22-14-21(24(32)29-15-23(31)26-16-29)27-30(22)19-8-4-7-18(25)13-19;2-1-3/h3-4,6-9,12-14H,5,10-11,15-16H2,1-2H3,(H,26,31);1H,(H,2,3) |
|---|
| InChIKey | FEKIBDVJUZHIID-UHFFFAOYSA-N |
|---|
| XLogP | 2.75 |
|---|
| TPSA | 117.00 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 7 |
|---|
| Rotatable Bonds | 8 |
|---|
| Heavy Atoms | 36 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 513.98 |
| LogP ≤ 5 | 2.75 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
|---|
Analyze 1-[1-(3-chlorophenyl)-5-[3-[3-(dimethylamino)propoxy]phenyl]pyrazole-3-carbonyl]imidazolidin-4-one;formic acid 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 1-[1-(3-chlorophenyl)-5-[3-[3-(dimethylamino)propoxy]phenyl]pyrazole-3-carbonyl]imidazolidin-4-one;formic acid?
The IUPAC name of 1-[1-(3-chlorophenyl)-5-[3-[3-(dimethylamino)propoxy]phenyl]pyrazole-3-carbonyl]imidazolidin-4-one;formic acid (CID 67153505) is 1-[1-(3-chlorophenyl)-5-[3-[3-(dimethylamino)propoxy]phenyl]pyrazole-3-carbonyl]imidazolidin-4-one;formic acid.
What is the SMILES notation for 1-[1-(3-chlorophenyl)-5-[3-[3-(dimethylamino)propoxy]phenyl]pyrazole-3-carbonyl]imidazolidin-4-one;formic acid?
The canonical SMILES for 1-[1-(3-chlorophenyl)-5-[3-[3-(dimethylamino)propoxy]phenyl]pyrazole-3-carbonyl]imidazolidin-4-one;formic acid is CN(C)CCCOc1cccc(-c2cc(C(=O)N3CNC(=O)C3)nn2-c2cccc(Cl)c2)c1.O=CO.
What is the InChIKey of 1-[1-(3-chlorophenyl)-5-[3-[3-(dimethylamino)propoxy]phenyl]pyrazole-3-carbonyl]imidazolidin-4-one;formic acid?
The InChIKey is FEKIBDVJUZHIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O3.CH2O2/c1-28(2)10-5-11-33-20-9-3-6-17(12-20)22-14-21(24(32)29-15-23(31)26-16-29)27-30(22)19-8-4-7-18(25)13-19;2-1-3/h3-4,6-9,12-14H,5,10-11,15-16H2,1-2H3,(H,26,31);1H,(H,2,3).
What are the key properties of 1-[1-(3-chlorophenyl)-5-[3-[3-(dimethylamino)propoxy]phenyl]pyrazole-3-carbonyl]imidazolidin-4-one;formic acid?
1-[1-(3-chlorophenyl)-5-[3-[3-(dimethylamino)propoxy]phenyl]pyrazole-3-carbonyl]imidazolidin-4-one;formic acid has a molecular weight of 513.98 g/mol, XLogP of 2.75, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chlorophenyl)-5-[3-[3-(dimethylamino)propoxy]phenyl]pyrazole-3-carbonyl]imidazolidin-4-one;formic acid is sourced from PubChem (CID 67153505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).