About 1-[1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]-4-phenylpiperidin-4-yl]-3-propan-2-ylurea
1-[1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]-4-phenylpiperidin-4-yl]-3-propan-2-ylurea (PubChem CID 57343222) has the molecular formula C32H32Cl3N5O2
and a molecular weight of 625.00 g/mol. Its IUPAC name is 1-[1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]-4-phenylpiperidin-4-yl]-3-propan-2-ylurea.
Molecular Properties
| Compound Name | 1-[1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]-4-phenylpiperidin-4-yl]-3-propan-2-ylurea |
|---|
| PubChem CID | 57343222 |
|---|
| Molecular Formula | C32H32Cl3N5O2 |
|---|
| Molecular Weight | 625.00 g/mol |
|---|
| Exact Mass | 623.16 |
|---|
| IUPAC Name | 1-[1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]-4-phenylpiperidin-4-yl]-3-propan-2-ylurea |
|---|
| SMILES | Cc1c(C(=O)N2CCC(NC(=O)NC(C)C)(c3ccccc3)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 |
|---|
| InChI | InChI=1S/C32H32Cl3N5O2/c1-20(2)36-31(42)37-32(23-7-5-4-6-8-23)15-17-39(18-16-32)30(41)28-21(3)29(22-9-11-24(33)12-10-22)40(38-28)27-14-13-25(34)19-26(27)35/h4-14,19-20H,15-18H2,1-3H3,(H2,36,37,42) |
|---|
| InChIKey | RAHXGVDTOFMMEF-UHFFFAOYSA-N |
|---|
| XLogP | 7.65 |
|---|
| TPSA | 79.26 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 4 |
|---|
| Rotatable Bonds | 6 |
|---|
| Heavy Atoms | 42 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 625.00 |
| LogP ≤ 5 | 7.65 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 4 |
Analyze 1-[1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]-4-phenylpiperidin-4-yl]-3-propan-2-ylurea 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-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]-4-phenylpiperidin-4-yl]-3-propan-2-ylurea?
The IUPAC name of 1-[1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]-4-phenylpiperidin-4-yl]-3-propan-2-ylurea (CID 57343222) is 1-[1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]-4-phenylpiperidin-4-yl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]-4-phenylpiperidin-4-yl]-3-propan-2-ylurea?
The canonical SMILES for 1-[1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]-4-phenylpiperidin-4-yl]-3-propan-2-ylurea is Cc1c(C(=O)N2CCC(NC(=O)NC(C)C)(c3ccccc3)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1.
What is the InChIKey of 1-[1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]-4-phenylpiperidin-4-yl]-3-propan-2-ylurea?
The InChIKey is RAHXGVDTOFMMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32Cl3N5O2/c1-20(2)36-31(42)37-32(23-7-5-4-6-8-23)15-17-39(18-16-32)30(41)28-21(3)29(22-9-11-24(33)12-10-22)40(38-28)27-14-13-25(34)19-26(27)35/h4-14,19-20H,15-18H2,1-3H3,(H2,36,37,42).
What are the key properties of 1-[1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]-4-phenylpiperidin-4-yl]-3-propan-2-ylurea?
1-[1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]-4-phenylpiperidin-4-yl]-3-propan-2-ylurea has a molecular weight of 625.00 g/mol, XLogP of 7.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]-4-phenylpiperidin-4-yl]-3-propan-2-ylurea is sourced from PubChem (CID 57343222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).