About [2-[2-amino-4-[4-(2-methylpyrazol-3-yl)phenyl]-5-oxo-4H-imidazol-1-yl]-2-(4-chlorophenyl)ethyl] N-[1-(trifluoromethyl)cyclopropyl]carbamate
[2-[2-amino-4-[4-(2-methylpyrazol-3-yl)phenyl]-5-oxo-4H-imidazol-1-yl]-2-(4-chlorophenyl)ethyl] N-[1-(trifluoromethyl)cyclopropyl]carbamate (PubChem CID 142559202) has the molecular formula C26H24ClF3N6O3
and a molecular weight of 560.96 g/mol. Its IUPAC name is [2-[2-amino-4-[4-(2-methylpyrazol-3-yl)phenyl]-5-oxo-4H-imidazol-1-yl]-2-(4-chlorophenyl)ethyl] N-[1-(trifluoromethyl)cyclopropyl]carbamate.
Molecular Properties
| Compound Name | [2-[2-amino-4-[4-(2-methylpyrazol-3-yl)phenyl]-5-oxo-4H-imidazol-1-yl]-2-(4-chlorophenyl)ethyl] N-[1-(trifluoromethyl)cyclopropyl]carbamate |
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| PubChem CID | 142559202 |
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| Molecular Formula | C26H24ClF3N6O3 |
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| Molecular Weight | 560.96 g/mol |
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| Exact Mass | 560.16 |
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| IUPAC Name | [2-[2-amino-4-[4-(2-methylpyrazol-3-yl)phenyl]-5-oxo-4H-imidazol-1-yl]-2-(4-chlorophenyl)ethyl] N-[1-(trifluoromethyl)cyclopropyl]carbamate |
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| SMILES | Cn1nccc1-c1ccc(C2N=C(N)N(C(COC(=O)NC3(C(F)(F)F)CC3)c3ccc(Cl)cc3)C2=O)cc1 |
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| InChI | InChI=1S/C26H24ClF3N6O3/c1-35-19(10-13-32-35)15-2-4-17(5-3-15)21-22(37)36(23(31)33-21)20(16-6-8-18(27)9-7-16)14-39-24(38)34-25(11-12-25)26(28,29)30/h2-10,13,20-21H,11-12,14H2,1H3,(H2,31,33)(H,34,38) |
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| InChIKey | VOLNNWMGRGNSOR-UHFFFAOYSA-N |
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| XLogP | 4.50 |
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| TPSA | 114.84 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 39 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 560.96 |
| LogP ≤ 5 | 4.50 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 7 |
Analyze [2-[2-amino-4-[4-(2-methylpyrazol-3-yl)phenyl]-5-oxo-4H-imidazol-1-yl]-2-(4-chlorophenyl)ethyl] N-[1-(trifluoromethyl)cyclopropyl]carbamate with MolForge
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Frequently Asked Questions
What is the IUPAC name of [2-[2-amino-4-[4-(2-methylpyrazol-3-yl)phenyl]-5-oxo-4H-imidazol-1-yl]-2-(4-chlorophenyl)ethyl] N-[1-(trifluoromethyl)cyclopropyl]carbamate?
The IUPAC name of [2-[2-amino-4-[4-(2-methylpyrazol-3-yl)phenyl]-5-oxo-4H-imidazol-1-yl]-2-(4-chlorophenyl)ethyl] N-[1-(trifluoromethyl)cyclopropyl]carbamate (CID 142559202) is [2-[2-amino-4-[4-(2-methylpyrazol-3-yl)phenyl]-5-oxo-4H-imidazol-1-yl]-2-(4-chlorophenyl)ethyl] N-[1-(trifluoromethyl)cyclopropyl]carbamate.
What is the SMILES notation for [2-[2-amino-4-[4-(2-methylpyrazol-3-yl)phenyl]-5-oxo-4H-imidazol-1-yl]-2-(4-chlorophenyl)ethyl] N-[1-(trifluoromethyl)cyclopropyl]carbamate?
The canonical SMILES for [2-[2-amino-4-[4-(2-methylpyrazol-3-yl)phenyl]-5-oxo-4H-imidazol-1-yl]-2-(4-chlorophenyl)ethyl] N-[1-(trifluoromethyl)cyclopropyl]carbamate is Cn1nccc1-c1ccc(C2N=C(N)N(C(COC(=O)NC3(C(F)(F)F)CC3)c3ccc(Cl)cc3)C2=O)cc1.
What is the InChIKey of [2-[2-amino-4-[4-(2-methylpyrazol-3-yl)phenyl]-5-oxo-4H-imidazol-1-yl]-2-(4-chlorophenyl)ethyl] N-[1-(trifluoromethyl)cyclopropyl]carbamate?
The InChIKey is VOLNNWMGRGNSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClF3N6O3/c1-35-19(10-13-32-35)15-2-4-17(5-3-15)21-22(37)36(23(31)33-21)20(16-6-8-18(27)9-7-16)14-39-24(38)34-25(11-12-25)26(28,29)30/h2-10,13,20-21H,11-12,14H2,1H3,(H2,31,33)(H,34,38).
What are the key properties of [2-[2-amino-4-[4-(2-methylpyrazol-3-yl)phenyl]-5-oxo-4H-imidazol-1-yl]-2-(4-chlorophenyl)ethyl] N-[1-(trifluoromethyl)cyclopropyl]carbamate?
[2-[2-amino-4-[4-(2-methylpyrazol-3-yl)phenyl]-5-oxo-4H-imidazol-1-yl]-2-(4-chlorophenyl)ethyl] N-[1-(trifluoromethyl)cyclopropyl]carbamate has a molecular weight of 560.96 g/mol, XLogP of 4.50, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-amino-4-[4-(2-methylpyrazol-3-yl)phenyl]-5-oxo-4H-imidazol-1-yl]-2-(4-chlorophenyl)ethyl] N-[1-(trifluoromethyl)cyclopropyl]carbamate is sourced from PubChem (CID 142559202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).