About N-[4-cyclobutyl-5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-yl]-5-methyl-1-phenylpyrazole-4-carboxamide;dihydrochloride
N-[4-cyclobutyl-5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-yl]-5-methyl-1-phenylpyrazole-4-carboxamide;dihydrochloride (PubChem CID 155549146) has the molecular formula C23H30Cl2N6OS
and a molecular weight of 509.51 g/mol. Its IUPAC name is N-[4-cyclobutyl-5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-yl]-5-methyl-1-phenylpyrazole-4-carboxamide;dihydrochloride.
Molecular Properties
| Compound Name | N-[4-cyclobutyl-5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-yl]-5-methyl-1-phenylpyrazole-4-carboxamide;dihydrochloride |
|---|
| PubChem CID | 155549146 |
|---|
| Molecular Formula | C23H30Cl2N6OS |
|---|
| Molecular Weight | 509.51 g/mol |
|---|
| Exact Mass | 508.16 |
|---|
| IUPAC Name | N-[4-cyclobutyl-5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-yl]-5-methyl-1-phenylpyrazole-4-carboxamide;dihydrochloride |
|---|
| SMILES | Cc1c(C(=O)Nc2nc(C3CCC3)c(N3CCN(C)CC3)s2)cnn1-c1ccccc1.Cl.Cl |
|---|
| InChI | InChI=1S/C23H28N6OS.2ClH/c1-16-19(15-24-29(16)18-9-4-3-5-10-18)21(30)26-23-25-20(17-7-6-8-17)22(31-23)28-13-11-27(2)12-14-28;;/h3-5,9-10,15,17H,6-8,11-14H2,1-2H3,(H,25,26,30);2*1H |
|---|
| InChIKey | ZJLDXFXEQOTOPM-UHFFFAOYSA-N |
|---|
| XLogP | 4.75 |
|---|
| TPSA | 66.29 Ų |
|---|
| H-Bond Donors | 1 |
|---|
| H-Bond Acceptors | 7 |
|---|
| Rotatable Bonds | 5 |
|---|
| Heavy Atoms | 33 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 509.51 |
| LogP ≤ 5 | 4.75 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 7 |
Analyze N-[4-cyclobutyl-5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-yl]-5-methyl-1-phenylpyrazole-4-carboxamide;dihydrochloride 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 N-[4-cyclobutyl-5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-yl]-5-methyl-1-phenylpyrazole-4-carboxamide;dihydrochloride?
The IUPAC name of N-[4-cyclobutyl-5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-yl]-5-methyl-1-phenylpyrazole-4-carboxamide;dihydrochloride (CID 155549146) is N-[4-cyclobutyl-5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-yl]-5-methyl-1-phenylpyrazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[4-cyclobutyl-5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-yl]-5-methyl-1-phenylpyrazole-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[4-cyclobutyl-5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-yl]-5-methyl-1-phenylpyrazole-4-carboxamide;dihydrochloride is Cc1c(C(=O)Nc2nc(C3CCC3)c(N3CCN(C)CC3)s2)cnn1-c1ccccc1.Cl.Cl.
What is the InChIKey of N-[4-cyclobutyl-5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-yl]-5-methyl-1-phenylpyrazole-4-carboxamide;dihydrochloride?
The InChIKey is ZJLDXFXEQOTOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6OS.2ClH/c1-16-19(15-24-29(16)18-9-4-3-5-10-18)21(30)26-23-25-20(17-7-6-8-17)22(31-23)28-13-11-27(2)12-14-28;;/h3-5,9-10,15,17H,6-8,11-14H2,1-2H3,(H,25,26,30);2*1H.
What are the key properties of N-[4-cyclobutyl-5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-yl]-5-methyl-1-phenylpyrazole-4-carboxamide;dihydrochloride?
N-[4-cyclobutyl-5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-yl]-5-methyl-1-phenylpyrazole-4-carboxamide;dihydrochloride has a molecular weight of 509.51 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyclobutyl-5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-yl]-5-methyl-1-phenylpyrazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 155549146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).