About N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19339996) has the molecular formula C25H26F3N7O2
and a molecular weight of 513.52 g/mol. Its IUPAC name is N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
Molecular Properties
| Compound Name | N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide |
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| PubChem CID | 19339996 |
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| Molecular Formula | C25H26F3N7O2 |
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| Molecular Weight | 513.52 g/mol |
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| Exact Mass | 513.21 |
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| IUPAC Name | N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide |
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| SMILES | CCn1ncc(NC(=O)c2cc3nc(-c4ccc(C(C)C)cc4)cc(C(F)(F)F)n3n2)c1C(=O)N(C)C |
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| InChI | InChI=1S/C25H26F3N7O2/c1-6-34-22(24(37)33(4)5)19(13-29-34)31-23(36)18-12-21-30-17(11-20(25(26,27)28)35(21)32-18)16-9-7-15(8-10-16)14(2)3/h7-14H,6H2,1-5H3,(H,31,36) |
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| InChIKey | NDWYWAOOJUPHPQ-UHFFFAOYSA-N |
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| XLogP | 4.71 |
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| TPSA | 97.42 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 37 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 513.52 |
| LogP ≤ 5 | 4.71 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 7 |
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Frequently Asked Questions
What is the IUPAC name of N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19339996) is N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CCn1ncc(NC(=O)c2cc3nc(-c4ccc(C(C)C)cc4)cc(C(F)(F)F)n3n2)c1C(=O)N(C)C.
What is the InChIKey of N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is NDWYWAOOJUPHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N7O2/c1-6-34-22(24(37)33(4)5)19(13-29-34)31-23(36)18-12-21-30-17(11-20(25(26,27)28)35(21)32-18)16-9-7-15(8-10-16)14(2)3/h7-14H,6H2,1-5H3,(H,31,36).
What are the key properties of N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 513.52 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19339996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).